From eb81388df76ddb91e370a4524d4226697ea3a3ef Mon Sep 17 00:00:00 2001
From: Erik Lindahl <erik@kth.se>
Date: Wed, 8 Jul 2015 22:20:42 +0200
Subject: [PATCH] Moved linear algebra sources to C++

Introduced std:: prefix for math, ctype and string functions. BLAS/LAPACK
source have also been updated and fortran-style checks for NaN replaced
with std::isnan(), and unused variables removed. The only reason for
moving BLAS/LAPACK to C++ is that it will eventually help us avoid the C
compiler entirely in Gromacs.

Change-Id: I5432c22228d4df385edad9076f88c8f14a0c94c6
---
 docs/doxygen/Doxyfile-common.cmakein               |   2 +
 docs/doxygen/suppressions.txt                      |   4 +-
 src/gromacs/linearalgebra/CMakeLists.txt           |   8 +-
 .../{eigensolver.c => eigensolver.cpp}             |   6 +-
 .../linearalgebra/{gmx_arpack.c => gmx_arpack.cpp} | 382 ++++++++++-----------
 .../linearalgebra/gmx_blas/{dasum.c => dasum.cpp}  |  12 +-
 .../linearalgebra/gmx_blas/{daxpy.c => daxpy.cpp}  |   0
 .../linearalgebra/gmx_blas/{dcopy.c => dcopy.cpp}  |   0
 .../linearalgebra/gmx_blas/{ddot.c => ddot.cpp}    |   0
 .../linearalgebra/gmx_blas/{dgemm.c => dgemm.cpp}  |  44 +--
 .../linearalgebra/gmx_blas/{dgemv.c => dgemv.cpp}  |  20 +-
 .../linearalgebra/gmx_blas/{dger.c => dger.cpp}    |   8 +-
 .../linearalgebra/gmx_blas/{dnrm2.c => dnrm2.cpp}  |   6 +-
 .../linearalgebra/gmx_blas/{drot.c => drot.cpp}    |   0
 .../linearalgebra/gmx_blas/{dscal.c => dscal.cpp}  |   0
 .../linearalgebra/gmx_blas/{dswap.c => dswap.cpp}  |   0
 .../linearalgebra/gmx_blas/{dsymv.c => dsymv.cpp}  |  14 +-
 .../linearalgebra/gmx_blas/{dsyr2.c => dsyr2.cpp}  |  16 +-
 .../gmx_blas/{dsyr2k.c => dsyr2k.cpp}              |  43 +--
 .../linearalgebra/gmx_blas/{dtrmm.c => dtrmm.cpp}  |  31 +-
 .../linearalgebra/gmx_blas/{dtrmv.c => dtrmv.cpp}  |  14 +-
 .../linearalgebra/gmx_blas/{dtrsm.c => dtrsm.cpp}  |  38 +-
 .../gmx_blas/{idamax.c => idamax.cpp}              |   8 +-
 .../gmx_blas/{isamax.c => isamax.cpp}              |   8 +-
 .../linearalgebra/gmx_blas/{sasum.c => sasum.cpp}  |  12 +-
 .../linearalgebra/gmx_blas/{saxpy.c => saxpy.cpp}  |   0
 .../linearalgebra/gmx_blas/{scopy.c => scopy.cpp}  |   0
 .../linearalgebra/gmx_blas/{sdot.c => sdot.cpp}    |   0
 .../linearalgebra/gmx_blas/{sgemm.c => sgemm.cpp}  |  44 +--
 .../linearalgebra/gmx_blas/{sgemv.c => sgemv.cpp}  |  20 +-
 .../linearalgebra/gmx_blas/{sger.c => sger.cpp}    |   8 +-
 .../linearalgebra/gmx_blas/{snrm2.c => snrm2.cpp}  |   6 +-
 .../linearalgebra/gmx_blas/{srot.c => srot.cpp}    |   0
 .../linearalgebra/gmx_blas/{sscal.c => sscal.cpp}  |   0
 .../linearalgebra/gmx_blas/{sswap.c => sswap.cpp}  |   0
 .../linearalgebra/gmx_blas/{ssymv.c => ssymv.cpp}  |  14 +-
 .../linearalgebra/gmx_blas/{ssyr2.c => ssyr2.cpp}  |  16 +-
 .../gmx_blas/{ssyr2k.c => ssyr2k.cpp}              |  42 +--
 .../linearalgebra/gmx_blas/{strmm.c => strmm.cpp}  |  31 +-
 .../linearalgebra/gmx_blas/{strmv.c => strmv.cpp}  |  14 +-
 .../linearalgebra/gmx_blas/{strsm.c => strsm.cpp}  |  38 +-
 .../gmx_lapack/{dbdsdc.c => dbdsdc.cpp}            |  20 +-
 .../gmx_lapack/{dbdsqr.c => dbdsqr.cpp}            |  77 ++---
 .../gmx_lapack/{dgebd2.c => dgebd2.cpp}            |   1 -
 .../gmx_lapack/{dgebrd.c => dgebrd.cpp}            |   0
 .../gmx_lapack/{dgelq2.c => dgelq2.cpp}            |   0
 .../gmx_lapack/{dgelqf.c => dgelqf.cpp}            |   2 +-
 .../gmx_lapack/{dgeqr2.c => dgeqr2.cpp}            |   0
 .../gmx_lapack/{dgeqrf.c => dgeqrf.cpp}            |   0
 .../gmx_lapack/{dgesdd.c => dgesdd.cpp}            |  24 +-
 .../gmx_lapack/{dgetf2.c => dgetf2.cpp}            |   7 +-
 .../gmx_lapack/{dgetrf.c => dgetrf.cpp}            |   0
 .../gmx_lapack/{dgetri.c => dgetri.cpp}            |   0
 .../gmx_lapack/{dgetrs.c => dgetrs.cpp}            |   0
 .../gmx_lapack/{dlabrd.c => dlabrd.cpp}            |   2 +-
 .../gmx_lapack/{dlacpy.c => dlacpy.cpp}            |   4 +-
 .../gmx_lapack/{dlae2.c => dlae2.cpp}              |  14 +-
 .../gmx_lapack/{dlaebz.c => dlaebz.cpp}            |  12 +-
 .../gmx_lapack/{dlaed6.c => dlaed6.cpp}            |  36 +-
 .../gmx_lapack/{dlaev2.c => dlaev2.cpp}            |  22 +-
 .../gmx_lapack/{dlagtf.c => dlagtf.cpp}            |  21 +-
 .../gmx_lapack/{dlagts.c => dlagts.cpp}            |  41 ++-
 .../gmx_lapack/{dlamrg.c => dlamrg.cpp}            |   0
 .../gmx_lapack/{dlange.c => dlange.cpp}            |  14 +-
 .../gmx_lapack/{dlanst.c => dlanst.cpp}            |  22 +-
 .../gmx_lapack/{dlansy.c => dlansy.cpp}            |  16 +-
 .../gmx_lapack/{dlapy2.c => dlapy2.cpp}            |  10 +-
 .../gmx_lapack/{dlar1vx.c => dlar1vx.cpp}          |  41 ++-
 .../gmx_lapack/{dlarf.c => dlarf.cpp}              |  10 +-
 .../gmx_lapack/{dlarfb.c => dlarfb.cpp}            |   0
 .../gmx_lapack/{dlarfg.c => dlarfg.cpp}            |   8 +-
 .../gmx_lapack/{dlarft.c => dlarft.cpp}            |   6 +-
 .../gmx_lapack/{dlarnv.c => dlarnv.cpp}            |   7 +-
 .../gmx_lapack/{dlarrbx.c => dlarrbx.cpp}          |  42 ++-
 .../gmx_lapack/{dlarrex.c => dlarrex.cpp}          |  37 +-
 .../gmx_lapack/{dlarrfx.c => dlarrfx.cpp}          |  27 +-
 .../gmx_lapack/{dlarrvx.c => dlarrvx.cpp}          |  27 +-
 .../gmx_lapack/{dlartg.c => dlartg.cpp}            |  30 +-
 .../gmx_lapack/{dlaruv.c => dlaruv.cpp}            |   2 +-
 .../gmx_lapack/{dlas2.c => dlas2.cpp}              |  20 +-
 .../gmx_lapack/{dlascl.c => dlascl.cpp}            |  10 +-
 .../gmx_lapack/{dlasd0.c => dlasd0.cpp}            |   1 -
 .../gmx_lapack/{dlasd1.c => dlasd1.cpp}            |  11 +-
 .../gmx_lapack/{dlasd2.c => dlasd2.cpp}            |  16 +-
 .../gmx_lapack/{dlasd3.c => dlasd3.cpp}            |  20 +-
 .../gmx_lapack/{dlasd4.c => dlasd4.cpp}            | 112 +++---
 .../gmx_lapack/{dlasd5.c => dlasd5.cpp}            |  18 +-
 .../gmx_lapack/{dlasd6.c => dlasd6.cpp}            |   8 +-
 .../gmx_lapack/{dlasd7.c => dlasd7.cpp}            |  18 +-
 .../gmx_lapack/{dlasd8.c => dlasd8.cpp}            |  30 +-
 .../gmx_lapack/{dlasda.c => dlasda.cpp}            |   2 -
 .../gmx_lapack/{dlasdq.c => dlasdq.cpp}            |   4 +-
 .../gmx_lapack/{dlasdt.c => dlasdt.cpp}            |   4 +-
 .../gmx_lapack/{dlaset.c => dlaset.cpp}            |   4 +-
 .../gmx_lapack/{dlasq1.c => dlasq1.cpp}            |  14 +-
 .../gmx_lapack/{dlasq2.c => dlasq2.cpp}            |  19 +-
 .../gmx_lapack/{dlasq3.c => dlasq3.cpp}            |   8 +-
 .../gmx_lapack/{dlasq4.c => dlasq4.cpp}            |  45 ++-
 .../gmx_lapack/{dlasq5.c => dlasq5.cpp}            |   2 +-
 .../gmx_lapack/{dlasq6.c => dlasq6.cpp}            |  10 +-
 .../gmx_lapack/{dlasr.c => dlasr.cpp}              |  29 +-
 .../gmx_lapack/{dlasrt.c => dlasrt.cpp}            |   1 -
 .../gmx_lapack/{dlasrt2.c => dlasrt2.cpp}          |   3 +-
 .../gmx_lapack/{dlassq.c => dlassq.cpp}            |   6 +-
 .../gmx_lapack/{dlasv2.c => dlasv2.cpp}            |  26 +-
 .../gmx_lapack/{dlaswp.c => dlaswp.cpp}            |   0
 .../gmx_lapack/{dlatrd.c => dlatrd.cpp}            |   4 +-
 .../gmx_lapack/{dorg2r.c => dorg2r.cpp}            |   2 +-
 .../gmx_lapack/{dorgbr.c => dorgbr.cpp}            |   0
 .../gmx_lapack/{dorgl2.c => dorgl2.cpp}            |   0
 .../gmx_lapack/{dorglq.c => dorglq.cpp}            |   0
 .../gmx_lapack/{dorgqr.c => dorgqr.cpp}            |   0
 .../gmx_lapack/{dorm2l.c => dorm2l.cpp}            |   1 -
 .../gmx_lapack/{dorm2r.c => dorm2r.cpp}            |   8 +-
 .../gmx_lapack/{dormbr.c => dormbr.cpp}            |   0
 .../gmx_lapack/{dorml2.c => dorml2.cpp}            |   6 +-
 .../gmx_lapack/{dormlq.c => dormlq.cpp}            |   3 -
 .../gmx_lapack/{dormql.c => dormql.cpp}            |   3 -
 .../gmx_lapack/{dormqr.c => dormqr.cpp}            |   3 -
 .../gmx_lapack/{dormtr.c => dormtr.cpp}            |   0
 .../gmx_lapack/{dstebz.c => dstebz.cpp}            |  31 +-
 .../gmx_lapack/{dstegr.c => dstegr.cpp}            |  10 +-
 .../gmx_lapack/{dstein.c => dstein.cpp}            |  19 +-
 .../gmx_lapack/{dsteqr.c => dsteqr.cpp}            |  26 +-
 .../gmx_lapack/{dsterf.c => dsterf.cpp}            |  30 +-
 .../gmx_lapack/{dstevr.c => dstevr.cpp}            |   0
 .../gmx_lapack/{dsyevr.c => dsyevr.cpp}            |  53 +--
 .../gmx_lapack/{dsytd2.c => dsytd2.cpp}            |  10 +-
 .../gmx_lapack/{dsytrd.c => dsytrd.cpp}            |   1 -
 .../gmx_lapack/{dtrti2.c => dtrti2.cpp}            |   0
 .../gmx_lapack/{dtrtri.c => dtrtri.cpp}            |   4 +-
 .../gmx_lapack/{ilasrt2.c => ilasrt2.cpp}          |   0
 .../gmx_lapack/{sbdsdc.c => sbdsdc.cpp}            |  19 +-
 .../gmx_lapack/{sbdsqr.c => sbdsqr.cpp}            |  77 ++---
 .../gmx_lapack/{sgebd2.c => sgebd2.cpp}            |   1 -
 .../gmx_lapack/{sgebrd.c => sgebrd.cpp}            |   0
 .../gmx_lapack/{sgelq2.c => sgelq2.cpp}            |   0
 .../gmx_lapack/{sgelqf.c => sgelqf.cpp}            |   2 +-
 .../gmx_lapack/{sgeqr2.c => sgeqr2.cpp}            |   0
 .../gmx_lapack/{sgeqrf.c => sgeqrf.cpp}            |   0
 .../gmx_lapack/{sgesdd.c => sgesdd.cpp}            |  24 +-
 .../gmx_lapack/{sgetf2.c => sgetf2.cpp}            |   7 +-
 .../gmx_lapack/{sgetrf.c => sgetrf.cpp}            |   0
 .../gmx_lapack/{sgetri.c => sgetri.cpp}            |   0
 .../gmx_lapack/{sgetrs.c => sgetrs.cpp}            |   0
 .../gmx_lapack/{slabrd.c => slabrd.cpp}            |   2 +-
 .../gmx_lapack/{slacpy.c => slacpy.cpp}            |   4 +-
 .../gmx_lapack/{slae2.c => slae2.cpp}              |  14 +-
 .../gmx_lapack/{slaebz.c => slaebz.cpp}            |  12 +-
 .../gmx_lapack/{slaed6.c => slaed6.cpp}            |  36 +-
 .../gmx_lapack/{slaev2.c => slaev2.cpp}            |  22 +-
 .../gmx_lapack/{slagtf.c => slagtf.cpp}            |  21 +-
 .../gmx_lapack/{slagts.c => slagts.cpp}            |  41 ++-
 .../gmx_lapack/{slamrg.c => slamrg.cpp}            |   0
 .../gmx_lapack/{slange.c => slange.cpp}            |  15 +-
 .../gmx_lapack/{slanst.c => slanst.cpp}            |  23 +-
 .../gmx_lapack/{slansy.c => slansy.cpp}            |  16 +-
 .../gmx_lapack/{slapy2.c => slapy2.cpp}            |  10 +-
 .../gmx_lapack/{slar1vx.c => slar1vx.cpp}          |  41 ++-
 .../gmx_lapack/{slarf.c => slarf.cpp}              |  10 +-
 .../gmx_lapack/{slarfb.c => slarfb.cpp}            |   0
 .../gmx_lapack/{slarfg.c => slarfg.cpp}            |   8 +-
 .../gmx_lapack/{slarft.c => slarft.cpp}            |   6 +-
 .../gmx_lapack/{slarnv.c => slarnv.cpp}            |   7 +-
 .../gmx_lapack/{slarrbx.c => slarrbx.cpp}          |  42 ++-
 .../gmx_lapack/{slarrex.c => slarrex.cpp}          |  37 +-
 .../gmx_lapack/{slarrfx.c => slarrfx.cpp}          |  27 +-
 .../gmx_lapack/{slarrvx.c => slarrvx.cpp}          |  26 +-
 .../gmx_lapack/{slartg.c => slartg.cpp}            |  30 +-
 .../gmx_lapack/{slaruv.c => slaruv.cpp}            |   2 +-
 .../gmx_lapack/{slas2.c => slas2.cpp}              |  20 +-
 .../gmx_lapack/{slascl.c => slascl.cpp}            |  10 +-
 .../gmx_lapack/{slasd0.c => slasd0.cpp}            |   1 -
 .../gmx_lapack/{slasd1.c => slasd1.cpp}            |  11 +-
 .../gmx_lapack/{slasd2.c => slasd2.cpp}            |  16 +-
 .../gmx_lapack/{slasd3.c => slasd3.cpp}            |  20 +-
 .../gmx_lapack/{slasd4.c => slasd4.cpp}            | 112 +++---
 .../gmx_lapack/{slasd5.c => slasd5.cpp}            |  18 +-
 .../gmx_lapack/{slasd6.c => slasd6.cpp}            |   8 +-
 .../gmx_lapack/{slasd7.c => slasd7.cpp}            |  18 +-
 .../gmx_lapack/{slasd8.c => slasd8.cpp}            |  30 +-
 .../gmx_lapack/{slasda.c => slasda.cpp}            |   2 -
 .../gmx_lapack/{slasdq.c => slasdq.cpp}            |   4 +-
 .../gmx_lapack/{slasdt.c => slasdt.cpp}            |   4 +-
 .../gmx_lapack/{slaset.c => slaset.cpp}            |   4 +-
 .../gmx_lapack/{slasq1.c => slasq1.cpp}            |  14 +-
 .../gmx_lapack/{slasq2.c => slasq2.cpp}            |  19 +-
 .../gmx_lapack/{slasq3.c => slasq3.cpp}            |   8 +-
 .../gmx_lapack/{slasq4.c => slasq4.cpp}            |  45 ++-
 .../gmx_lapack/{slasq5.c => slasq5.cpp}            |   2 +-
 .../gmx_lapack/{slasq6.c => slasq6.cpp}            |  10 +-
 .../gmx_lapack/{slasr.c => slasr.cpp}              |  29 +-
 .../gmx_lapack/{slasrt.c => slasrt.cpp}            |   1 -
 .../gmx_lapack/{slasrt2.c => slasrt2.cpp}          |   1 -
 .../gmx_lapack/{slassq.c => slassq.cpp}            |   6 +-
 .../gmx_lapack/{slasv2.c => slasv2.cpp}            |  26 +-
 .../gmx_lapack/{slaswp.c => slaswp.cpp}            |   0
 .../gmx_lapack/{slatrd.c => slatrd.cpp}            |   4 +-
 .../gmx_lapack/{sorg2r.c => sorg2r.cpp}            |   2 +-
 .../gmx_lapack/{sorgbr.c => sorgbr.cpp}            |   0
 .../gmx_lapack/{sorgl2.c => sorgl2.cpp}            |   0
 .../gmx_lapack/{sorglq.c => sorglq.cpp}            |   0
 .../gmx_lapack/{sorgqr.c => sorgqr.cpp}            |   0
 .../gmx_lapack/{sorm2l.c => sorm2l.cpp}            |   1 -
 .../gmx_lapack/{sorm2r.c => sorm2r.cpp}            |   8 +-
 .../gmx_lapack/{sormbr.c => sormbr.cpp}            |   0
 .../gmx_lapack/{sorml2.c => sorml2.cpp}            |   6 +-
 .../gmx_lapack/{sormlq.c => sormlq.cpp}            |   3 -
 .../gmx_lapack/{sormql.c => sormql.cpp}            |   5 +-
 .../gmx_lapack/{sormqr.c => sormqr.cpp}            |   3 -
 .../gmx_lapack/{sormtr.c => sormtr.cpp}            |   0
 .../gmx_lapack/{sstebz.c => sstebz.cpp}            |  29 +-
 .../gmx_lapack/{sstegr.c => sstegr.cpp}            |  10 +-
 .../gmx_lapack/{sstein.c => sstein.cpp}            |  19 +-
 .../gmx_lapack/{ssteqr.c => ssteqr.cpp}            |  26 +-
 .../gmx_lapack/{ssterf.c => ssterf.cpp}            |  30 +-
 .../gmx_lapack/{sstevr.c => sstevr.cpp}            |   0
 .../gmx_lapack/{ssyevr.c => ssyevr.cpp}            |  53 +--
 .../gmx_lapack/{ssytd2.c => ssytd2.cpp}            |  10 +-
 .../gmx_lapack/{ssytrd.c => ssytrd.cpp}            |   1 -
 .../gmx_lapack/{strti2.c => strti2.cpp}            |   0
 .../gmx_lapack/{strtri.c => strtri.cpp}            |   4 +-
 src/gromacs/linearalgebra/{matrix.c => matrix.cpp} |   6 +-
 src/gromacs/linearalgebra/{nrjac.c => nrjac.cpp}   |  24 +-
 .../{sparsematrix.c => sparsematrix.cpp}           |   7 +-
 225 files changed, 1577 insertions(+), 1841 deletions(-)
 rename src/gromacs/linearalgebra/{eigensolver.c => eigensolver.cpp} (98%)
 rename src/gromacs/linearalgebra/{gmx_arpack.c => gmx_arpack.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_blas/{dasum.c => dasum.cpp} (75%)
 rename src/gromacs/linearalgebra/gmx_blas/{daxpy.c => daxpy.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{dcopy.c => dcopy.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{ddot.c => ddot.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{dgemm.c => dgemm.cpp} (73%)
 rename src/gromacs/linearalgebra/gmx_blas/{dgemv.c => dgemv.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_blas/{dger.c => dger.cpp} (87%)
 rename src/gromacs/linearalgebra/gmx_blas/{dnrm2.c => dnrm2.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_blas/{drot.c => drot.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{dscal.c => dscal.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{dswap.c => dswap.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{dsymv.c => dsymv.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_blas/{dsyr2.c => dsyr2.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_blas/{dsyr2k.c => dsyr2k.cpp} (76%)
 rename src/gromacs/linearalgebra/gmx_blas/{dtrmm.c => dtrmm.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_blas/{dtrmv.c => dtrmv.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_blas/{dtrsm.c => dtrsm.cpp} (80%)
 rename src/gromacs/linearalgebra/gmx_blas/{idamax.c => idamax.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_blas/{isamax.c => isamax.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_blas/{sasum.c => sasum.cpp} (74%)
 rename src/gromacs/linearalgebra/gmx_blas/{saxpy.c => saxpy.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{scopy.c => scopy.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{sdot.c => sdot.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{sgemm.c => sgemm.cpp} (72%)
 rename src/gromacs/linearalgebra/gmx_blas/{sgemv.c => sgemv.cpp} (83%)
 rename src/gromacs/linearalgebra/gmx_blas/{sger.c => sger.cpp} (87%)
 rename src/gromacs/linearalgebra/gmx_blas/{snrm2.c => snrm2.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_blas/{srot.c => srot.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{sscal.c => sscal.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{sswap.c => sswap.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_blas/{ssymv.c => ssymv.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_blas/{ssyr2.c => ssyr2.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_blas/{ssyr2k.c => ssyr2k.cpp} (78%)
 rename src/gromacs/linearalgebra/gmx_blas/{strmm.c => strmm.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_blas/{strmv.c => strmv.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_blas/{strsm.c => strsm.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dbdsdc.c => dbdsdc.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dbdsqr.c => dbdsqr.cpp} (86%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgebd2.c => dgebd2.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgebrd.c => dgebrd.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgelq2.c => dgelq2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgelqf.c => dgelqf.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgeqr2.c => dgeqr2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgeqrf.c => dgeqrf.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgesdd.c => dgesdd.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgetf2.c => dgetf2.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgetrf.c => dgetrf.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgetri.c => dgetri.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dgetrs.c => dgetrs.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlabrd.c => dlabrd.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlacpy.c => dlacpy.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlae2.c => dlae2.cpp} (76%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaebz.c => dlaebz.cpp} (96%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaed6.c => dlaed6.cpp} (78%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaev2.c => dlaev2.cpp} (76%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlagtf.c => dlagtf.cpp} (77%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlagts.c => dlagts.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlamrg.c => dlamrg.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlange.c => dlange.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlanst.c => dlanst.cpp} (69%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlansy.c => dlansy.cpp} (87%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlapy2.c => dlapy2.cpp} (68%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlar1vx.c => dlar1vx.cpp} (82%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarf.c => dlarf.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarfb.c => dlarfb.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarfg.c => dlarfg.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarft.c => dlarft.cpp} (96%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarnv.c => dlarnv.cpp} (82%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarrbx.c => dlarrbx.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarrex.c => dlarrex.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarrfx.c => dlarrfx.cpp} (74%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlarrvx.c => dlarrvx.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlartg.c => dlartg.cpp} (70%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaruv.c => dlaruv.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlas2.c => dlas2.cpp} (70%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlascl.c => dlascl.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd0.c => dlasd0.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd1.c => dlasd1.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd2.c => dlasd2.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd3.c => dlasd3.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd4.c => dlasd4.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd5.c => dlasd5.cpp} (73%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd6.c => dlasd6.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd7.c => dlasd7.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasd8.c => dlasd8.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasda.c => dlasda.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasdq.c => dlasdq.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasdt.c => dlasdt.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaset.c => dlaset.cpp} (91%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq1.c => dlasq1.cpp} (86%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq2.c => dlasq2.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq3.c => dlasq3.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq4.c => dlasq4.cpp} (78%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq5.c => dlasq5.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasq6.c => dlasq6.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasr.c => dlasr.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasrt.c => dlasrt.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasrt2.c => dlasrt2.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlassq.c => dlassq.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlasv2.c => dlasv2.cpp} (84%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlaswp.c => dlaswp.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dlatrd.c => dlatrd.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorg2r.c => dorg2r.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorgbr.c => dorgbr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorgl2.c => dorgl2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorglq.c => dorglq.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorgqr.c => dorgqr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorm2l.c => dorm2l.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorm2r.c => dorm2r.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dormbr.c => dormbr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dorml2.c => dorml2.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dormlq.c => dormlq.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dormql.c => dormql.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dormqr.c => dormqr.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dormtr.c => dormtr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dstebz.c => dstebz.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dstegr.c => dstegr.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dstein.c => dstein.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dsteqr.c => dsteqr.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dsterf.c => dsterf.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dstevr.c => dstevr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dsyevr.c => dsyevr.cpp} (83%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dsytd2.c => dsytd2.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dsytrd.c => dsytrd.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dtrti2.c => dtrti2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{dtrtri.c => dtrtri.cpp} (96%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ilasrt2.c => ilasrt2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sbdsdc.c => sbdsdc.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sbdsqr.c => sbdsqr.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgebd2.c => sgebd2.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgebrd.c => sgebrd.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgelq2.c => sgelq2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgelqf.c => sgelqf.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgeqr2.c => sgeqr2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgeqrf.c => sgeqrf.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgesdd.c => sgesdd.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgetf2.c => sgetf2.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgetrf.c => sgetrf.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgetri.c => sgetri.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sgetrs.c => sgetrs.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slabrd.c => slabrd.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slacpy.c => slacpy.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slae2.c => slae2.cpp} (76%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaebz.c => slaebz.cpp} (96%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaed6.c => slaed6.cpp} (78%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaev2.c => slaev2.cpp} (76%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slagtf.c => slagtf.cpp} (77%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slagts.c => slagts.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slamrg.c => slamrg.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slange.c => slange.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slanst.c => slanst.cpp} (69%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slansy.c => slansy.cpp} (87%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slapy2.c => slapy2.cpp} (68%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slar1vx.c => slar1vx.cpp} (82%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarf.c => slarf.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarfb.c => slarfb.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarfg.c => slarfg.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarft.c => slarft.cpp} (96%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarnv.c => slarnv.cpp} (82%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarrbx.c => slarrbx.cpp} (90%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarrex.c => slarrex.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarrfx.c => slarrfx.cpp} (74%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slarrvx.c => slarrvx.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slartg.c => slartg.cpp} (69%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaruv.c => slaruv.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slas2.c => slas2.cpp} (70%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slascl.c => slascl.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd0.c => slasd0.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd1.c => slasd1.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd2.c => slasd2.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd3.c => slasd3.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd4.c => slasd4.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd5.c => slasd5.cpp} (73%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd6.c => slasd6.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd7.c => slasd7.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasd8.c => slasd8.cpp} (81%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasda.c => slasda.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasdq.c => slasdq.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasdt.c => slasdt.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaset.c => slaset.cpp} (91%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq1.c => slasq1.cpp} (86%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq2.c => slasq2.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq3.c => slasq3.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq4.c => slasq4.cpp} (78%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq5.c => slasq5.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasq6.c => slasq6.cpp} (93%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasr.c => slasr.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasrt.c => slasrt.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasrt2.c => slasrt2.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slassq.c => slassq.cpp} (85%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slasv2.c => slasv2.cpp} (84%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slaswp.c => slaswp.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{slatrd.c => slatrd.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorg2r.c => sorg2r.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorgbr.c => sorgbr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorgl2.c => sorgl2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorglq.c => sorglq.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorgqr.c => sorgqr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorm2l.c => sorm2l.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorm2r.c => sorm2r.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sormbr.c => sormbr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sorml2.c => sorml2.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sormlq.c => sormlq.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sormql.c => sormql.cpp} (97%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sormqr.c => sormqr.cpp} (98%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sormtr.c => sormtr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sstebz.c => sstebz.cpp} (94%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sstegr.c => sstegr.cpp} (95%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sstein.c => sstein.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ssteqr.c => ssteqr.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ssterf.c => ssterf.cpp} (89%)
 rename src/gromacs/linearalgebra/gmx_lapack/{sstevr.c => sstevr.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ssyevr.c => ssyevr.cpp} (83%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ssytd2.c => ssytd2.cpp} (92%)
 rename src/gromacs/linearalgebra/gmx_lapack/{ssytrd.c => ssytrd.cpp} (99%)
 rename src/gromacs/linearalgebra/gmx_lapack/{strti2.c => strti2.cpp} (100%)
 rename src/gromacs/linearalgebra/gmx_lapack/{strtri.c => strtri.cpp} (96%)
 rename src/gromacs/linearalgebra/{matrix.c => matrix.cpp} (98%)
 rename src/gromacs/linearalgebra/{nrjac.c => nrjac.cpp} (90%)
 rename src/gromacs/linearalgebra/{sparsematrix.c => sparsematrix.cpp} (98%)

diff --git a/docs/doxygen/Doxyfile-common.cmakein b/docs/doxygen/Doxyfile-common.cmakein
index 8a87e9b152..7e1770a929 100644
--- a/docs/doxygen/Doxyfile-common.cmakein
+++ b/docs/doxygen/Doxyfile-common.cmakein
@@ -12,6 +12,8 @@ EXAMPLE_PATH           = @CMAKE_SOURCE_DIR@
 RECURSIVE              = YES
 EXCLUDE                = @CMAKE_SOURCE_DIR@/src/contrib \
                          @CMAKE_SOURCE_DIR@/src/external \
+                         @CMAKE_SOURCE_DIR@/src/gromacs/linearalgebra/gmx_blas \
+                         @CMAKE_SOURCE_DIR@/src/gromacs/linearalgebra/gmx_lapack \
                          @CMAKE_SOURCE_DIR@/src/gromacs/selection/parser.cpp \
                          @CMAKE_SOURCE_DIR@/src/gromacs/selection/parser.h \
                          @CMAKE_SOURCE_DIR@/src/gromacs/selection/scanner.cpp @NB_KERNEL_DIRS_TO_IGNORE_IN_DOXYGEN@
diff --git a/docs/doxygen/suppressions.txt b/docs/doxygen/suppressions.txt
index 9f3ce900de..da77511bcc 100644
--- a/docs/doxygen/suppressions.txt
+++ b/docs/doxygen/suppressions.txt
@@ -5,8 +5,8 @@ src/gromacs/version.h: warning: includes local file as <gromacs/version.h>
 
 # These are OK
 src/gromacs/math/vec.h: warning: installed header includes non-installed "config.h"
-src/gromacs/linearalgebra/eigensolver.c: warning: should include "config.h"
-src/gromacs/linearalgebra/gmx_arpack.c: warning: should include "config.h"
+src/gromacs/linearalgebra/eigensolver.cpp: warning: should include "config.h"
+src/gromacs/linearalgebra/gmx_arpack.cpp: warning: should include "config.h"
 src/gromacs/linearalgebra/gmx_blas/*: warning: does not include "gmxpre.h" first
 src/gromacs/linearalgebra/gmx_blas/*: warning: should include "config.h"
 src/gromacs/linearalgebra/gmx_lapack/*: warning: does not include "gmxpre.h" first
diff --git a/src/gromacs/linearalgebra/CMakeLists.txt b/src/gromacs/linearalgebra/CMakeLists.txt
index c0c1ed82f4..2afb058033 100644
--- a/src/gromacs/linearalgebra/CMakeLists.txt
+++ b/src/gromacs/linearalgebra/CMakeLists.txt
@@ -1,7 +1,7 @@
 #
 # This file is part of the GROMACS molecular simulation package.
 #
-# Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+# Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
 # and including many others, as listed in the AUTHORS file in the
 # top-level source directory and at http://www.gromacs.org.
@@ -32,14 +32,14 @@
 # To help us fund GROMACS development, we humbly ask that you cite
 # the research papers on the package. Check out http://www.gromacs.org.
 
-file(GLOB LINEARALGEBRA_SOURCES *.c)
+file(GLOB LINEARALGEBRA_SOURCES *.cpp)
 
 if (NOT GMX_EXTERNAL_BLAS)
-    file(GLOB BLAS_SOURCES gmx_blas/*.c)
+    file(GLOB BLAS_SOURCES gmx_blas/*.cpp)
 endif()
 
 if (NOT GMX_EXTERNAL_LAPACK)
-    file(GLOB LAPACK_SOURCES gmx_lapack/*.c)
+    file(GLOB LAPACK_SOURCES gmx_lapack/*.cpp)
 endif()
 
 set(LINEARALGEBRA_SOURCES
diff --git a/src/gromacs/linearalgebra/eigensolver.c b/src/gromacs/linearalgebra/eigensolver.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/eigensolver.c
rename to src/gromacs/linearalgebra/eigensolver.cpp
index 7d3f0d8754..472a884ef8 100644
--- a/src/gromacs/linearalgebra/eigensolver.c
+++ b/src/gromacs/linearalgebra/eigensolver.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -56,7 +56,7 @@ eigensolver(real *   a,
 {
     int       *   isuppz;
     int           lwork, liwork;
-    int           il, iu, m, iw0, info;
+    int           m, iw0, info;
     real          w0, abstol;
     int       *   iwork;
     real       *  work;
@@ -110,7 +110,7 @@ eigensolver(real *   a,
         gmx_fatal(FARGS, "Internal errror in LAPACK diagonalization.");
     }
 
-    lwork  = w0;
+    lwork  = static_cast<int>(w0);
     liwork = iw0;
 
     snew(work, lwork);
diff --git a/src/gromacs/linearalgebra/gmx_arpack.c b/src/gromacs/linearalgebra/gmx_arpack.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_arpack.c
rename to src/gromacs/linearalgebra/gmx_arpack.cpp
index 287f0da282..f486fd3ee6 100644
--- a/src/gromacs/linearalgebra/gmx_arpack.c
+++ b/src/gromacs/linearalgebra/gmx_arpack.cpp
@@ -2,7 +2,7 @@
  * This file is part of the GROMACS molecular simulation package.
  *
  * Copyright (c) 1991-2004 David van der Spoel, Erik Lindahl, University of Groningen.
- * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -37,8 +37,8 @@
 
 #include "gmx_arpack.h"
 
-#include <math.h>
-#include <string.h>
+#include <cmath>
+#include <cstring>
 
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
@@ -103,8 +103,8 @@ F77_FUNC(dstqrb, DSTQRB) (int *      n,
     minval = GMX_DOUBLE_MIN;
     safmin = minval / GMX_DOUBLE_EPS;
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax = std::sqrt(safmax) / 3.;
+    ssfmin = std::sqrt(safmin) / eps2;
 
     if (icompz == 2)
     {
@@ -137,12 +137,12 @@ L10:
         i__1 = nm1;
         for (m = l1; m <= i__1; ++m)
         {
-            tst = fabs(e[m]);
+            tst = std::abs(e[m]);
             if (tst == 0.)
             {
                 goto L30;
             }
-            if (tst <= sqrt(fabs(d__[m])) * sqrt(fabs(d__[m+1])) * eps)
+            if (tst <= std::sqrt(std::abs(d__[m])) * std::sqrt(std::abs(d__[m+1])) * eps)
             {
                 e[m] = 0.;
                 goto L30;
@@ -190,7 +190,7 @@ L30:
                                   info);
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l]))
+    if (std::abs(d__[lend]) < std::abs(d__[l]))
     {
         lend = lsv;
         l    = lendsv;
@@ -206,9 +206,9 @@ L40:
             i__1   = lendm1;
             for (m = l; m <= i__1; ++m)
             {
-                d__2 = fabs(e[m]);
+                d__2 = std::abs(e[m]);
                 tst  = d__2 * d__2;
-                if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m + 1]) + safmin)
+                if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m + 1]) + safmin)
                 {
                     goto L60;
                 }
@@ -327,9 +327,9 @@ L90:
             i__1   = lendp1;
             for (m = l; m >= i__1; --m)
             {
-                d__2 = fabs(e[m - 1]);
+                d__2 = std::abs(e[m - 1]);
                 tst  = d__2 * d__2;
-                if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m- 1]) + safmin)
+                if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m- 1]) + safmin)
                 {
                     goto L110;
                 }
@@ -603,7 +603,7 @@ L20:
     if (*bmat == 'G')
     {
         workd[*n * 3 + 4] = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        workd[*n * 3 + 4] = sqrt(fabs(workd[*n * 3 + 4]));
+        workd[*n * 3 + 4] = std::sqrt(std::abs(workd[*n * 3 + 4]));
     }
     else if (*bmat == 'I')
     {
@@ -643,7 +643,7 @@ L40:
     if (*bmat == 'G')
     {
         *rnorm = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        *rnorm = sqrt(fabs(*rnorm));
+        *rnorm = std::sqrt(std::abs(*rnorm));
     }
     else if (*bmat == 'I')
     {
@@ -752,7 +752,7 @@ L20:
         i__2 = kplusp - 1;
         for (i__ = istart; i__ <= i__2; ++i__)
         {
-            big = fabs(h__[i__ + (h_dim1*2)]) + fabs(h__[i__ + 1 + (h_dim1*2)]);
+            big = std::abs(h__[i__ + (h_dim1*2)]) + std::abs(h__[i__ + 1 + (h_dim1*2)]);
             if (h__[i__ + 1 + h_dim1] <= epsmch * big)
             {
                 h__[i__ + 1 + h_dim1] = 0.;
@@ -871,7 +871,7 @@ L90:
     i__1 = kplusp - 1;
     for (i__ = itop; i__ <= i__1; ++i__)
     {
-        big = fabs(h__[i__ + (h_dim1*2)]) + fabs(h__[i__+ 1 + (h_dim1*2)]);
+        big = std::abs(h__[i__ + (h_dim1*2)]) + std::abs(h__[i__+ 1 + (h_dim1*2)]);
         if (h__[i__ + 1 + h_dim1] <= epsmch * big)
         {
             h__[i__ + 1 + h_dim1] = 0.;
@@ -935,7 +935,7 @@ F77_FUNC(dsortr, DSORTR) (const char *    which,
 
     igap = *n / 2;
 
-    if (!strncmp(which, "SA", 2))
+    if (!std::strncmp(which, "SA", 2))
     {
 
 L10:
@@ -979,7 +979,7 @@ L30:
         goto L10;
 
     }
-    else if (!strncmp(which, "SM", 2))
+    else if (!std::strncmp(which, "SM", 2))
     {
 
 L40:
@@ -998,7 +998,7 @@ L50:
                 goto L60;
             }
 
-            if (fabs(x1[j]) < fabs(x1[j + igap]))
+            if (std::abs(x1[j]) < std::abs(x1[j + igap]))
             {
                 temp         = x1[j];
                 x1[j]        = x1[j + igap];
@@ -1023,7 +1023,7 @@ L60:
         goto L40;
 
     }
-    else if (!strncmp(which, "LA", 2))
+    else if (!std::strncmp(which, "LA", 2))
     {
 
 L70:
@@ -1067,7 +1067,7 @@ L90:
         goto L70;
 
     }
-    else if (!strncmp(which, "LM", 2))
+    else if (!std::strncmp(which, "LM", 2))
     {
 
 
@@ -1087,7 +1087,7 @@ L110:
                 goto L120;
             }
 
-            if (fabs(x1[j]) > fabs(x1[j + igap]))
+            if (std::abs(x1[j]) > std::abs(x1[j + igap]))
             {
                 temp         = x1[j];
                 x1[j]        = x1[j + igap];
@@ -1141,7 +1141,7 @@ F77_FUNC(dsesrt, DSESRT) (const char *    which,
 
     igap = *n / 2;
 
-    if (!strncmp(which, "SA", 2))
+    if (!std::strncmp(which, "SA", 2))
     {
 
 L10:
@@ -1184,7 +1184,7 @@ L30:
         goto L10;
 
     }
-    else if (!strncmp(which, "SM", 2))
+    else if (!std::strncmp(which, "SM", 2))
     {
 
 L40:
@@ -1203,7 +1203,7 @@ L50:
                 goto L60;
             }
 
-            if (fabs(x[j]) < fabs(x[j + igap]))
+            if (std::abs(x[j]) < std::abs(x[j + igap]))
             {
                 temp        = x[j];
                 x[j]        = x[j + igap];
@@ -1227,7 +1227,7 @@ L60:
         goto L40;
 
     }
-    else if (!strncmp(which, "LA", 2))
+    else if (!std::strncmp(which, "LA", 2))
     {
 
 L70:
@@ -1270,7 +1270,7 @@ L90:
         goto L70;
 
     }
-    else if (!strncmp(which, "LM", 2))
+    else if (!std::strncmp(which, "LM", 2))
     {
 
 L100:
@@ -1289,7 +1289,7 @@ L110:
                 goto L120;
             }
 
-            if (fabs(x[j]) > fabs(x[j + igap]))
+            if (std::abs(x[j]) > std::abs(x[j + igap]))
             {
                 temp        = x[j];
                 x[j]        = x[j + igap];
@@ -1338,7 +1338,7 @@ F77_FUNC(dsgets, DSGETS) (int *     ishift,
     --bounds;
     --ritz;
 
-    if (!strncmp(which, "BE", 2))
+    if (!std::strncmp(which, "BE", 2))
     {
         i__1 = *kev + *np;
         F77_FUNC(dsortr, DSORTR) ("LA", &c__1, &i__1, &ritz[1], &bounds[1]);
@@ -1393,7 +1393,7 @@ F77_FUNC(dsconv, DSCONV) (int *     n,
     --ritz;
 
     eps23 = GMX_DOUBLE_EPS;
-    eps23 = pow(eps23, c_b3);
+    eps23 = std::pow(eps23, c_b3);
 
     *nconv = 0;
     i__1   = *n;
@@ -1401,7 +1401,7 @@ F77_FUNC(dsconv, DSCONV) (int *     n,
     {
 
         d__2 = eps23;
-        d__3 = fabs(ritz[i__]);
+        d__3 = std::abs(ritz[i__]);
         temp = (d__2 > d__3) ? d__2 : d__3;
         if (bounds[i__] <= *tol * temp)
         {
@@ -1448,7 +1448,7 @@ F77_FUNC(dseigt, DSEIGT) (double *  rnorm,
     i__1 = *n;
     for (k = 1; k <= i__1; ++k)
     {
-        bounds[k] = *rnorm * fabs(bounds[k]);
+        bounds[k] = *rnorm * std::abs(bounds[k]);
 
     }
 
@@ -1635,13 +1635,13 @@ L65:
 
         workd[*n * 3 + 3] = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[iwork[10]], &
                                                   c__1);
-        workd[*n * 3 + 3] = sqrt(fabs(workd[*n * 3 + 3]));
+        workd[*n * 3 + 3] = std::sqrt(std::abs(workd[*n * 3 + 3]));
     }
     else if (*bmat == 'G')
     {
         workd[*n * 3 + 3] = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &
                                                   c__1);
-        workd[*n * 3 + 3] = sqrt(fabs(workd[*n * 3 + 3]));
+        workd[*n * 3 + 3] = std::sqrt(std::abs(workd[*n * 3 + 3]));
     }
     else if (*bmat == 'I')
     {
@@ -1695,7 +1695,7 @@ L70:
     if (*bmat == 'G')
     {
         *rnorm = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &c__1);
-        *rnorm = sqrt(fabs(*rnorm));
+        *rnorm = std::sqrt(std::abs(*rnorm));
     }
     else if (*bmat == 'I')
     {
@@ -1742,7 +1742,7 @@ L90:
     {
         workd[*n * 3 + 2] = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &
                                                   c__1);
-        workd[*n * 3 + 2] = sqrt(fabs(workd[*n * 3 + 2]));
+        workd[*n * 3 + 2] = std::sqrt(std::abs(workd[*n * 3 + 2]));
     }
     else if (*bmat == 'I')
     {
@@ -1873,7 +1873,7 @@ F77_FUNC(dsaup2, DSAUP2) (int *     ido,
     --ipntr;
     --iwork;
     eps23 = GMX_DOUBLE_EPS;
-    eps23 = pow(eps23, c_b3);
+    eps23 = std::pow(eps23, c_b3);
 
     if (*ido == 0)
     {
@@ -2022,10 +2022,10 @@ L20:
     if (iwork[8] >= iwork[9] || iwork[6] > *mxiter || *np == 0)
     {
 
-        if (!strncmp(which, "BE", 2))
+        if (!std::strncmp(which, "BE", 2))
         {
 
-            strncpy(wprime, "SA", 2);
+            std::strncpy(wprime, "SA", 2);
             F77_FUNC(dsortr, DSORTR) (wprime, &c__1, &iwork[7], &ritz[1], &bounds[1]);
             nevd2 = *nev / 2;
             nevm2 = *nev - nevd2;
@@ -2047,21 +2047,21 @@ L20:
         else
         {
 
-            if (!strncmp(which, "LM", 2))
+            if (!std::strncmp(which, "LM", 2))
             {
-                strncpy(wprime, "SM", 2);
+                std::strncpy(wprime, "SM", 2);
             }
-            if (!strncmp(which, "SM", 2))
+            if (!std::strncmp(which, "SM", 2))
             {
-                strncpy(wprime, "LM", 2);
+                std::strncpy(wprime, "LM", 2);
             }
-            if (!strncmp(which, "LA", 2))
+            if (!std::strncmp(which, "LA", 2))
             {
-                strncpy(wprime, "SA", 2);
+                std::strncpy(wprime, "SA", 2);
             }
-            if (!strncmp(which, "SA", 2))
+            if (!std::strncmp(which, "SA", 2))
             {
-                strncpy(wprime, "LA", 2);
+                std::strncpy(wprime, "LA", 2);
             }
 
             F77_FUNC(dsortr, DSORTR) (wprime, &c__1, &iwork[7], &ritz[1], &bounds[1]);
@@ -2072,27 +2072,27 @@ L20:
         for (j = 1; j <= i__1; ++j)
         {
             d__2       = eps23;
-            d__3       = fabs(ritz[j]);
+            d__3       = std::abs(ritz[j]);
             temp       = (d__2 > d__3) ? d__2 : d__3;
             bounds[j] /= temp;
         }
 
-        strncpy(wprime, "LA", 2);
+        std::strncpy(wprime, "LA", 2);
         F77_FUNC(dsortr, DSORTR) (wprime, &c__1, &iwork[9], &bounds[1], &ritz[1]);
 
         i__1 = iwork[9];
         for (j = 1; j <= i__1; ++j)
         {
             d__2       = eps23;
-            d__3       = fabs(ritz[j]);
+            d__3       = std::abs(ritz[j]);
             temp       = (d__2 > d__3) ? d__2 : d__3;
             bounds[j] *= temp;
         }
 
-        if (!strncmp(which, "BE", 2))
+        if (!std::strncmp(which, "BE", 2))
         {
 
-            strncpy(wprime, "LA", 2);
+            std::strncpy(wprime, "LA", 2);
             F77_FUNC(dsortr, DSORTR) (wprime, &c__1, &iwork[8], &ritz[1], &bounds[1]);
 
         }
@@ -2182,7 +2182,7 @@ L100:
     if (*bmat == 'G')
     {
         workd[*n * 3 + 1] = F77_FUNC(ddot, DDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        workd[*n * 3 + 1] = sqrt(fabs(workd[*n * 3 + 1]));
+        workd[*n * 3 + 1] = std::sqrt(std::abs(workd[*n * 3 + 1]));
     }
     else if (*bmat == 'I')
     {
@@ -2272,9 +2272,9 @@ F77_FUNC(dsaupd, DSAUPD) (int *     ido,
         {
             iwork[2] = -4;
         }
-        if (strncmp(which, "LM", 2) && strncmp(which, "SM", 2) &&
-            strncmp(which, "LA", 2) && strncmp(which, "SA", 2) &&
-            strncmp(which, "BE", 2))
+        if (std::strncmp(which, "LM", 2) && std::strncmp(which, "SM", 2) &&
+            std::strncmp(which, "LA", 2) && std::strncmp(which, "SA", 2) &&
+            std::strncmp(which, "BE", 2))
         {
             iwork[2] = -5;
         }
@@ -2300,7 +2300,7 @@ F77_FUNC(dsaupd, DSAUPD) (int *     ido,
         {
             iwork[2] = -12;
         }
-        else if (*nev == 1 && !strncmp(which, "BE", 2))
+        else if (*nev == 1 && !std::strncmp(which, "BE", 2))
         {
             iwork[2] = -13;
         }
@@ -2471,9 +2471,9 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
     {
         ierr = -3;
     }
-    if (strncmp(which, "LM", 2) && strncmp(which, "SM", 2) &&
-        strncmp(which, "LA", 2) && strncmp(which, "SA", 2) &&
-        strncmp(which, "BE", 2))
+    if (std::strncmp(which, "LM", 2) && std::strncmp(which, "SM", 2) &&
+        std::strncmp(which, "LA", 2) && std::strncmp(which, "SA", 2) &&
+        std::strncmp(which, "BE", 2))
     {
         ierr = -5;
     }
@@ -2498,19 +2498,19 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
 
     if (mode == 1 || mode == 2)
     {
-        strncpy(type__, "REGULR", 6);
+        std::strncpy(type__, "REGULR", 6);
     }
     else if (mode == 3)
     {
-        strncpy(type__, "SHIFTI", 6);
+        std::strncpy(type__, "SHIFTI", 6);
     }
     else if (mode == 4)
     {
-        strncpy(type__, "BUCKLE", 6);
+        std::strncpy(type__, "BUCKLE", 6);
     }
     else if (mode == 5)
     {
-        strncpy(type__, "CAYLEY", 6);
+        std::strncpy(type__, "CAYLEY", 6);
     }
     else
     {
@@ -2520,7 +2520,7 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
     {
         ierr = -11;
     }
-    if (*nev == 1 && !strncmp(which, "BE", 2))
+    if (*nev == 1 && !std::strncmp(which, "BE", 2))
     {
         ierr = -12;
     }
@@ -2551,7 +2551,7 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
 
 
     eps23 = GMX_DOUBLE_EPS;
-    eps23 = pow(eps23, c_b21);
+    eps23 = std::pow(eps23, c_b21);
 
     rnorm = workl[ih];
     if (*bmat == 'I')
@@ -2566,12 +2566,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
     if (*rvec)
     {
 
-        if (!strncmp(which, "LM", 2) || !strncmp(which, "SM", 2) ||
-            !strncmp(which, "LA", 2) || !strncmp(which, "SA", 2))
+        if (!std::strncmp(which, "LM", 2) || !std::strncmp(which, "SM", 2) ||
+            !std::strncmp(which, "LA", 2) || !std::strncmp(which, "SA", 2))
         {
 
         }
-        else if (!strncmp(which, "BE", 2))
+        else if (!std::strncmp(which, "BE", 2))
         {
 
 
@@ -2590,12 +2590,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
         for (j = 0; j <= i__1; ++j)
         {
             select[j + 1] = 0;
-            if (!strncmp(which, "LM", 2))
+            if (!std::strncmp(which, "LM", 2))
             {
-                if (fabs(workl[irz + j]) >= fabs(thres1))
+                if (std::abs(workl[irz + j]) >= std::abs(thres1))
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -2603,12 +2603,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "SM", 2))
+            else if (!std::strncmp(which, "SM", 2))
             {
-                if (fabs(workl[irz + j]) <= fabs(thres1))
+                if (std::abs(workl[irz + j]) <= std::abs(thres1))
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -2616,12 +2616,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "LA", 2))
+            else if (!std::strncmp(which, "LA", 2))
             {
                 if (workl[irz + j] >= thres1)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -2629,12 +2629,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "SA", 2))
+            else if (!std::strncmp(which, "SA", 2))
             {
                 if (workl[irz + j] <= thres1)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -2642,12 +2642,12 @@ F77_FUNC(dseupd, DSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "BE", 2))
+            else if (!std::strncmp(which, "BE", 2))
             {
                 if (workl[irz + j] <= thres1 || workl[irz + j] >= thres2)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -2739,7 +2739,7 @@ L30:
         F77_FUNC(dcopy, DCOPY) (ncv, &workl[ritz], &c__1, &workl[ihd], &c__1);
 
     }
-    if (!strncmp(type__, "REGULR", 6))
+    if (!std::strncmp(type__, "REGULR", 6))
     {
 
         if (*rvec)
@@ -2756,7 +2756,7 @@ L30:
     {
 
         F77_FUNC(dcopy, DCOPY) (ncv, &workl[ihd], &c__1, &workl[iw], &c__1);
-        if (!strncmp(type__, "SHIFTI", 6))
+        if (!std::strncmp(type__, "SHIFTI", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -2764,7 +2764,7 @@ L30:
                 workl[ihd + k - 1] = 1. / workl[ihd + k - 1] + *sigma;
             }
         }
-        else if (!strncmp(type__, "BUCKLE", 6))
+        else if (!std::strncmp(type__, "BUCKLE", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -2773,7 +2773,7 @@ L30:
                                                                           + k - 1] - 1.);
             }
         }
-        else if (!strncmp(type__, "CAYLEY", 6))
+        else if (!std::strncmp(type__, "CAYLEY", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -2824,49 +2824,49 @@ L30:
 
     }
 
-    if (!strncmp(type__, "REGULR", 6) && *rvec)
+    if (!std::strncmp(type__, "REGULR", 6) && *rvec)
     {
 
         i__1 = *ncv;
         for (j = 1; j <= i__1; ++j)
         {
-            workl[ihb + j - 1] = rnorm * fabs(workl[ihb + j - 1]);
+            workl[ihb + j - 1] = rnorm * std::abs(workl[ihb + j - 1]);
         }
 
     }
-    else if (strncmp(type__, "REGULR", 6) && *rvec)
+    else if (std::strncmp(type__, "REGULR", 6) && *rvec)
     {
 
         F77_FUNC(dscal, DSCAL) (ncv, &bnorm2, &workl[ihb], &c__1);
-        if (!strncmp(type__, "SHIFTI", 6))
+        if (!std::strncmp(type__, "SHIFTI", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
                 d__2               = workl[iw + k - 1];
-                workl[ihb + k - 1] = fabs(workl[ihb + k - 1])/(d__2 * d__2);
+                workl[ihb + k - 1] = std::abs(workl[ihb + k - 1])/(d__2 * d__2);
             }
 
         }
-        else if (!strncmp(type__, "BUCKLE", 6))
+        else if (!std::strncmp(type__, "BUCKLE", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
                 d__2               = workl[iw + k - 1] - 1.;
-                workl[ihb + k - 1] = *sigma * fabs(workl[ihb + k - 1])/(d__2 * d__2);
+                workl[ihb + k - 1] = *sigma * std::abs(workl[ihb + k - 1])/(d__2 * d__2);
             }
 
         }
-        else if (!strncmp(type__, "CAYLEY", 6))
+        else if (!std::strncmp(type__, "CAYLEY", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
-                workl[ihb + k - 1] = fabs(workl[ihb + k - 1] / workl[iw + k - 1] * (workl[iw + k - 1] - 1.));
+                workl[ihb + k - 1] = std::abs(workl[ihb + k - 1] / workl[iw + k - 1] * (workl[iw + k - 1] - 1.));
 
             }
 
@@ -2874,7 +2874,7 @@ L30:
 
     }
 
-    if (*rvec && (!strncmp(type__, "SHIFTI", 6) || !strncmp(type__, "CAYLEY", 6)))
+    if (*rvec && (!std::strncmp(type__, "SHIFTI", 6) || !std::strncmp(type__, "CAYLEY", 6)))
     {
 
         i__1 = nconv - 1;
@@ -2884,7 +2884,7 @@ L30:
         }
 
     }
-    else if (*rvec && !strncmp(type__, "BUCKLE", 6))
+    else if (*rvec && !std::strncmp(type__, "BUCKLE", 6))
     {
 
         i__1 = nconv - 1;
@@ -2896,7 +2896,7 @@ L30:
 
     }
 
-    if (strncmp(type__, "REGULR", 6))
+    if (std::strncmp(type__, "REGULR", 6))
     {
         F77_FUNC(dger, DGER) (n, &nconv, &c_b102, &resid[1], &c__1, &workl[iw], &c__1, &z__[
                                   z_offset], ldz);
@@ -2972,8 +2972,8 @@ F77_FUNC(sstqrb, SSTQRB) (int *      n,
     minval = GMX_FLOAT_MIN;
     safmin = minval / GMX_FLOAT_EPS;
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax = std::sqrt(safmax) / 3.;
+    ssfmin = std::sqrt(safmin) / eps2;
 
     if (icompz == 2)
     {
@@ -3006,12 +3006,12 @@ L10:
         i__1 = nm1;
         for (m = l1; m <= i__1; ++m)
         {
-            tst = fabs(e[m]);
+            tst = std::abs(e[m]);
             if (tst == 0.)
             {
                 goto L30;
             }
-            if (tst <= sqrt(fabs(d__[m])) * sqrt(fabs(d__[m+1])) * eps)
+            if (tst <= std::sqrt(std::abs(d__[m])) * std::sqrt(std::abs(d__[m+1])) * eps)
             {
                 e[m] = 0.;
                 goto L30;
@@ -3059,7 +3059,7 @@ L30:
                                   info);
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l]))
+    if (std::abs(d__[lend]) < std::abs(d__[l]))
     {
         lend = lsv;
         l    = lendsv;
@@ -3075,9 +3075,9 @@ L40:
             i__1   = lendm1;
             for (m = l; m <= i__1; ++m)
             {
-                d__2 = fabs(e[m]);
+                d__2 = std::abs(e[m]);
                 tst  = d__2 * d__2;
-                if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m + 1]) + safmin)
+                if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m + 1]) + safmin)
                 {
                     goto L60;
                 }
@@ -3196,9 +3196,9 @@ L90:
             i__1   = lendp1;
             for (m = l; m >= i__1; --m)
             {
-                d__2 = fabs(e[m - 1]);
+                d__2 = std::abs(e[m - 1]);
                 tst  = d__2 * d__2;
-                if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m- 1]) + safmin)
+                if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m- 1]) + safmin)
                 {
                     goto L110;
                 }
@@ -3472,7 +3472,7 @@ L20:
     if (*bmat == 'G')
     {
         workd[*n * 3 + 4] = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        workd[*n * 3 + 4] = sqrt(fabs(workd[*n * 3 + 4]));
+        workd[*n * 3 + 4] = std::sqrt(std::abs(workd[*n * 3 + 4]));
     }
     else if (*bmat == 'I')
     {
@@ -3512,7 +3512,7 @@ L40:
     if (*bmat == 'G')
     {
         *rnorm = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        *rnorm = sqrt(fabs(*rnorm));
+        *rnorm = std::sqrt(std::abs(*rnorm));
     }
     else if (*bmat == 'I')
     {
@@ -3621,7 +3621,7 @@ L20:
         i__2 = kplusp - 1;
         for (i__ = istart; i__ <= i__2; ++i__)
         {
-            big = fabs(h__[i__ + (h_dim1*2)]) + fabs(h__[i__ + 1 + (h_dim1*2)]);
+            big = std::abs(h__[i__ + (h_dim1*2)]) + std::abs(h__[i__ + 1 + (h_dim1*2)]);
             if (h__[i__ + 1 + h_dim1] <= epsmch * big)
             {
                 h__[i__ + 1 + h_dim1] = 0.;
@@ -3740,7 +3740,7 @@ L90:
     i__1 = kplusp - 1;
     for (i__ = itop; i__ <= i__1; ++i__)
     {
-        big = fabs(h__[i__ + (h_dim1*2)]) + fabs(h__[i__+ 1 + (h_dim1*2)]);
+        big = std::abs(h__[i__ + (h_dim1*2)]) + std::abs(h__[i__+ 1 + (h_dim1*2)]);
         if (h__[i__ + 1 + h_dim1] <= epsmch * big)
         {
             h__[i__ + 1 + h_dim1] = 0.;
@@ -3804,7 +3804,7 @@ F77_FUNC(ssortr, SSORTR) (const char *    which,
 
     igap = *n / 2;
 
-    if (!strncmp(which, "SA", 2))
+    if (!std::strncmp(which, "SA", 2))
     {
 
 L10:
@@ -3848,7 +3848,7 @@ L30:
         goto L10;
 
     }
-    else if (!strncmp(which, "SM", 2))
+    else if (!std::strncmp(which, "SM", 2))
     {
 
 L40:
@@ -3867,7 +3867,7 @@ L50:
                 goto L60;
             }
 
-            if (fabs(x1[j]) < fabs(x1[j + igap]))
+            if (std::abs(x1[j]) < std::abs(x1[j + igap]))
             {
                 temp         = x1[j];
                 x1[j]        = x1[j + igap];
@@ -3892,7 +3892,7 @@ L60:
         goto L40;
 
     }
-    else if (!strncmp(which, "LA", 2))
+    else if (!std::strncmp(which, "LA", 2))
     {
 
 L70:
@@ -3936,7 +3936,7 @@ L90:
         goto L70;
 
     }
-    else if (!strncmp(which, "LM", 2))
+    else if (!std::strncmp(which, "LM", 2))
     {
 
 
@@ -3956,7 +3956,7 @@ L110:
                 goto L120;
             }
 
-            if (fabs(x1[j]) > fabs(x1[j + igap]))
+            if (std::abs(x1[j]) > std::abs(x1[j + igap]))
             {
                 temp         = x1[j];
                 x1[j]        = x1[j + igap];
@@ -4010,7 +4010,7 @@ F77_FUNC(ssesrt, SSESRT) (const char *    which,
 
     igap = *n / 2;
 
-    if (!strncmp(which, "SA", 2))
+    if (!std::strncmp(which, "SA", 2))
     {
 
 L10:
@@ -4053,7 +4053,7 @@ L30:
         goto L10;
 
     }
-    else if (!strncmp(which, "SM", 2))
+    else if (!std::strncmp(which, "SM", 2))
     {
 
 L40:
@@ -4072,7 +4072,7 @@ L50:
                 goto L60;
             }
 
-            if (fabs(x[j]) < fabs(x[j + igap]))
+            if (std::abs(x[j]) < std::abs(x[j + igap]))
             {
                 temp        = x[j];
                 x[j]        = x[j + igap];
@@ -4096,7 +4096,7 @@ L60:
         goto L40;
 
     }
-    else if (!strncmp(which, "LA", 2))
+    else if (!std::strncmp(which, "LA", 2))
     {
 
 L70:
@@ -4139,7 +4139,7 @@ L90:
         goto L70;
 
     }
-    else if (!strncmp(which, "LM", 2))
+    else if (!std::strncmp(which, "LM", 2))
     {
 
 L100:
@@ -4158,7 +4158,7 @@ L110:
                 goto L120;
             }
 
-            if (fabs(x[j]) > fabs(x[j + igap]))
+            if (std::abs(x[j]) > std::abs(x[j + igap]))
             {
                 temp        = x[j];
                 x[j]        = x[j + igap];
@@ -4207,7 +4207,7 @@ F77_FUNC(ssgets, SSGETS) (int *     ishift,
     --bounds;
     --ritz;
 
-    if (!strncmp(which, "BE", 2))
+    if (!std::strncmp(which, "BE", 2))
     {
         i__1 = *kev + *np;
         F77_FUNC(ssortr, SSORTR) ("LA", &c__1, &i__1, &ritz[1], &bounds[1]);
@@ -4262,7 +4262,7 @@ F77_FUNC(ssconv, SSCONV) (int *     n,
     --ritz;
 
     eps23 = GMX_FLOAT_EPS;
-    eps23 = pow(eps23, c_b3);
+    eps23 = std::pow(eps23, c_b3);
 
     *nconv = 0;
     i__1   = *n;
@@ -4270,7 +4270,7 @@ F77_FUNC(ssconv, SSCONV) (int *     n,
     {
 
         d__2 = eps23;
-        d__3 = fabs(ritz[i__]);
+        d__3 = std::abs(ritz[i__]);
         temp = (d__2 > d__3) ? d__2 : d__3;
         if (bounds[i__] <= *tol * temp)
         {
@@ -4317,7 +4317,7 @@ F77_FUNC(sseigt, SSEIGT) (float *  rnorm,
     i__1 = *n;
     for (k = 1; k <= i__1; ++k)
     {
-        bounds[k] = *rnorm * fabs(bounds[k]);
+        bounds[k] = *rnorm * std::abs(bounds[k]);
 
     }
 
@@ -4504,13 +4504,13 @@ L65:
 
         workd[*n * 3 + 3] = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[iwork[10]], &
                                                   c__1);
-        workd[*n * 3 + 3] = sqrt(fabs(workd[*n * 3 + 3]));
+        workd[*n * 3 + 3] = std::sqrt(std::abs(workd[*n * 3 + 3]));
     }
     else if (*bmat == 'G')
     {
         workd[*n * 3 + 3] = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &
                                                   c__1);
-        workd[*n * 3 + 3] = sqrt(fabs(workd[*n * 3 + 3]));
+        workd[*n * 3 + 3] = std::sqrt(std::abs(workd[*n * 3 + 3]));
     }
     else if (*bmat == 'I')
     {
@@ -4564,7 +4564,7 @@ L70:
     if (*bmat == 'G')
     {
         *rnorm = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &c__1);
-        *rnorm = sqrt(fabs(*rnorm));
+        *rnorm = std::sqrt(std::abs(*rnorm));
     }
     else if (*bmat == 'I')
     {
@@ -4611,7 +4611,7 @@ L90:
     {
         workd[*n * 3 + 2] = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[iwork[8]], &
                                                   c__1);
-        workd[*n * 3 + 2] = sqrt(fabs(workd[*n * 3 + 2]));
+        workd[*n * 3 + 2] = std::sqrt(std::abs(workd[*n * 3 + 2]));
     }
     else if (*bmat == 'I')
     {
@@ -4742,7 +4742,7 @@ F77_FUNC(ssaup2, SSAUP2) (int *     ido,
     --ipntr;
     --iwork;
     eps23 = GMX_FLOAT_EPS;
-    eps23 = pow(eps23, c_b3);
+    eps23 = std::pow(eps23, c_b3);
 
     if (*ido == 0)
     {
@@ -4892,10 +4892,10 @@ L20:
     if (iwork[8] >= iwork[9] || iwork[6] > *mxiter || *np == 0)
     {
 
-        if (!strncmp(which, "BE", 2))
+        if (!std::strncmp(which, "BE", 2))
         {
 
-            strncpy(wprime, "SA", 2);
+            std::strncpy(wprime, "SA", 2);
             F77_FUNC(ssortr, SSORTR) (wprime, &c__1, &iwork[7], &ritz[1], &bounds[1]);
             nevd2 = *nev / 2;
             nevm2 = *nev - nevd2;
@@ -4917,21 +4917,21 @@ L20:
         else
         {
 
-            if (!strncmp(which, "LM", 2))
+            if (!std::strncmp(which, "LM", 2))
             {
-                strncpy(wprime, "SM", 2);
+                std::strncpy(wprime, "SM", 2);
             }
-            if (!strncmp(which, "SM", 2))
+            if (!std::strncmp(which, "SM", 2))
             {
-                strncpy(wprime, "LM", 2);
+                std::strncpy(wprime, "LM", 2);
             }
-            if (!strncmp(which, "LA", 2))
+            if (!std::strncmp(which, "LA", 2))
             {
-                strncpy(wprime, "SA", 2);
+                std::strncpy(wprime, "SA", 2);
             }
-            if (!strncmp(which, "SA", 2))
+            if (!std::strncmp(which, "SA", 2))
             {
-                strncpy(wprime, "LA", 2);
+                std::strncpy(wprime, "LA", 2);
             }
 
             F77_FUNC(ssortr, SSORTR) (wprime, &c__1, &iwork[7], &ritz[1], &bounds[1]);
@@ -4942,27 +4942,27 @@ L20:
         for (j = 1; j <= i__1; ++j)
         {
             d__2       = eps23;
-            d__3       = fabs(ritz[j]);
+            d__3       = std::abs(ritz[j]);
             temp       = (d__2 > d__3) ? d__2 : d__3;
             bounds[j] /= temp;
         }
 
-        strncpy(wprime, "LA", 2);
+        std::strncpy(wprime, "LA", 2);
         F77_FUNC(ssortr, SSORTR) (wprime, &c__1, &iwork[9], &bounds[1], &ritz[1]);
 
         i__1 = iwork[9];
         for (j = 1; j <= i__1; ++j)
         {
             d__2       = eps23;
-            d__3       = fabs(ritz[j]);
+            d__3       = std::abs(ritz[j]);
             temp       = (d__2 > d__3) ? d__2 : d__3;
             bounds[j] *= temp;
         }
 
-        if (!strncmp(which, "BE", 2))
+        if (!std::strncmp(which, "BE", 2))
         {
 
-            strncpy(wprime, "LA", 2);
+            std::strncpy(wprime, "LA", 2);
             F77_FUNC(ssortr, SSORTR) (wprime, &c__1, &iwork[8], &ritz[1], &bounds[1]);
 
         }
@@ -5052,7 +5052,7 @@ L100:
     if (*bmat == 'G')
     {
         workd[*n * 3 + 1] = F77_FUNC(sdot, SDOT) (n, &resid[1], &c__1, &workd[1], &c__1);
-        workd[*n * 3 + 1] = sqrt(fabs(workd[*n * 3 + 1]));
+        workd[*n * 3 + 1] = std::sqrt(std::abs(workd[*n * 3 + 1]));
     }
     else if (*bmat == 'I')
     {
@@ -5142,9 +5142,9 @@ F77_FUNC(ssaupd, SSAUPD) (int *     ido,
         {
             iwork[2] = -4;
         }
-        if (strncmp(which, "LM", 2) && strncmp(which, "SM", 2) &&
-            strncmp(which, "LA", 2) && strncmp(which, "SA", 2) &&
-            strncmp(which, "BE", 2))
+        if (std::strncmp(which, "LM", 2) && std::strncmp(which, "SM", 2) &&
+            std::strncmp(which, "LA", 2) && std::strncmp(which, "SA", 2) &&
+            std::strncmp(which, "BE", 2))
         {
             iwork[2] = -5;
         }
@@ -5170,7 +5170,7 @@ F77_FUNC(ssaupd, SSAUPD) (int *     ido,
         {
             iwork[2] = -12;
         }
-        else if (*nev == 1 && !strncmp(which, "BE", 2))
+        else if (*nev == 1 && !std::strncmp(which, "BE", 2))
         {
             iwork[2] = -13;
         }
@@ -5341,9 +5341,9 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
     {
         ierr = -3;
     }
-    if (strncmp(which, "LM", 2) && strncmp(which, "SM", 2) &&
-        strncmp(which, "LA", 2) && strncmp(which, "SA", 2) &&
-        strncmp(which, "BE", 2))
+    if (std::strncmp(which, "LM", 2) && std::strncmp(which, "SM", 2) &&
+        std::strncmp(which, "LA", 2) && std::strncmp(which, "SA", 2) &&
+        std::strncmp(which, "BE", 2))
     {
         ierr = -5;
     }
@@ -5368,19 +5368,19 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
 
     if (mode == 1 || mode == 2)
     {
-        strncpy(type__, "REGULR", 6);
+        std::strncpy(type__, "REGULR", 6);
     }
     else if (mode == 3)
     {
-        strncpy(type__, "SHIFTI", 6);
+        std::strncpy(type__, "SHIFTI", 6);
     }
     else if (mode == 4)
     {
-        strncpy(type__, "BUCKLE", 6);
+        std::strncpy(type__, "BUCKLE", 6);
     }
     else if (mode == 5)
     {
-        strncpy(type__, "CAYLEY", 6);
+        std::strncpy(type__, "CAYLEY", 6);
     }
     else
     {
@@ -5390,7 +5390,7 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
     {
         ierr = -11;
     }
-    if (*nev == 1 && !strncmp(which, "BE", 2))
+    if (*nev == 1 && !std::strncmp(which, "BE", 2))
     {
         ierr = -12;
     }
@@ -5421,7 +5421,7 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
 
 
     eps23 = GMX_FLOAT_EPS;
-    eps23 = pow(eps23, c_b21);
+    eps23 = std::pow(eps23, c_b21);
 
     rnorm = workl[ih];
     if (*bmat == 'I')
@@ -5436,12 +5436,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
     if (*rvec)
     {
 
-        if (!strncmp(which, "LM", 2) || !strncmp(which, "SM", 2) ||
-            !strncmp(which, "LA", 2) || !strncmp(which, "SA", 2))
+        if (!std::strncmp(which, "LM", 2) || !std::strncmp(which, "SM", 2) ||
+            !std::strncmp(which, "LA", 2) || !std::strncmp(which, "SA", 2))
         {
 
         }
-        else if (!strncmp(which, "BE", 2))
+        else if (!std::strncmp(which, "BE", 2))
         {
 
 
@@ -5460,12 +5460,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
         for (j = 0; j <= i__1; ++j)
         {
             select[j + 1] = 0;
-            if (!strncmp(which, "LM", 2))
+            if (!std::strncmp(which, "LM", 2))
             {
-                if (fabs(workl[irz + j]) >= fabs(thres1))
+                if (std::abs(workl[irz + j]) >= std::abs(thres1))
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -5473,12 +5473,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "SM", 2))
+            else if (!std::strncmp(which, "SM", 2))
             {
-                if (fabs(workl[irz + j]) <= fabs(thres1))
+                if (std::abs(workl[irz + j]) <= std::abs(thres1))
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -5486,12 +5486,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "LA", 2))
+            else if (!std::strncmp(which, "LA", 2))
             {
                 if (workl[irz + j] >= thres1)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -5499,12 +5499,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "SA", 2))
+            else if (!std::strncmp(which, "SA", 2))
             {
                 if (workl[irz + j] <= thres1)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -5512,12 +5512,12 @@ F77_FUNC(sseupd, SSEUPD) (int *     rvec,
                     }
                 }
             }
-            else if (!strncmp(which, "BE", 2))
+            else if (!std::strncmp(which, "BE", 2))
             {
                 if (workl[irz + j] <= thres1 || workl[irz + j] >= thres2)
                 {
                     d__2    = eps23;
-                    d__3    = fabs(workl[irz + j]);
+                    d__3    = std::abs(workl[irz + j]);
                     tempbnd = (d__2 > d__3) ? d__2 : d__3;
                     if (workl[ibd + j] <= *tol * tempbnd)
                     {
@@ -5609,7 +5609,7 @@ L30:
         F77_FUNC(scopy, SCOPY) (ncv, &workl[ritz], &c__1, &workl[ihd], &c__1);
 
     }
-    if (!strncmp(type__, "REGULR", 6))
+    if (!std::strncmp(type__, "REGULR", 6))
     {
 
         if (*rvec)
@@ -5626,7 +5626,7 @@ L30:
     {
 
         F77_FUNC(scopy, SCOPY) (ncv, &workl[ihd], &c__1, &workl[iw], &c__1);
-        if (!strncmp(type__, "SHIFTI", 6))
+        if (!std::strncmp(type__, "SHIFTI", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -5634,7 +5634,7 @@ L30:
                 workl[ihd + k - 1] = 1. / workl[ihd + k - 1] + *sigma;
             }
         }
-        else if (!strncmp(type__, "BUCKLE", 6))
+        else if (!std::strncmp(type__, "BUCKLE", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -5643,7 +5643,7 @@ L30:
                                                                           + k - 1] - 1.);
             }
         }
-        else if (!strncmp(type__, "CAYLEY", 6))
+        else if (!std::strncmp(type__, "CAYLEY", 6))
         {
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
@@ -5694,49 +5694,49 @@ L30:
 
     }
 
-    if (!strncmp(type__, "REGULR", 6) && *rvec)
+    if (!std::strncmp(type__, "REGULR", 6) && *rvec)
     {
 
         i__1 = *ncv;
         for (j = 1; j <= i__1; ++j)
         {
-            workl[ihb + j - 1] = rnorm * fabs(workl[ihb + j - 1]);
+            workl[ihb + j - 1] = rnorm * std::abs(workl[ihb + j - 1]);
         }
 
     }
-    else if (strncmp(type__, "REGULR", 6) && *rvec)
+    else if (std::strncmp(type__, "REGULR", 6) && *rvec)
     {
 
         F77_FUNC(sscal, SSCAL) (ncv, &bnorm2, &workl[ihb], &c__1);
-        if (!strncmp(type__, "SHIFTI", 6))
+        if (!std::strncmp(type__, "SHIFTI", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
                 d__2               = workl[iw + k - 1];
-                workl[ihb + k - 1] = fabs(workl[ihb + k - 1])/(d__2 * d__2);
+                workl[ihb + k - 1] = std::abs(workl[ihb + k - 1])/(d__2 * d__2);
             }
 
         }
-        else if (!strncmp(type__, "BUCKLE", 6))
+        else if (!std::strncmp(type__, "BUCKLE", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
                 d__2               = workl[iw + k - 1] - 1.;
-                workl[ihb + k - 1] = *sigma * fabs(workl[ihb + k - 1])/(d__2 * d__2);
+                workl[ihb + k - 1] = *sigma * std::abs(workl[ihb + k - 1])/(d__2 * d__2);
             }
 
         }
-        else if (!strncmp(type__, "CAYLEY", 6))
+        else if (!std::strncmp(type__, "CAYLEY", 6))
         {
 
             i__1 = *ncv;
             for (k = 1; k <= i__1; ++k)
             {
-                workl[ihb + k - 1] = fabs(workl[ihb + k - 1] / workl[iw + k - 1] * (workl[iw + k - 1] - 1.));
+                workl[ihb + k - 1] = std::abs(workl[ihb + k - 1] / workl[iw + k - 1] * (workl[iw + k - 1] - 1.));
 
             }
 
@@ -5744,7 +5744,7 @@ L30:
 
     }
 
-    if (*rvec && (!strncmp(type__, "SHIFTI", 6) || !strncmp(type__, "CAYLEY", 6)))
+    if (*rvec && (!std::strncmp(type__, "SHIFTI", 6) || !std::strncmp(type__, "CAYLEY", 6)))
     {
 
         i__1 = nconv - 1;
@@ -5754,7 +5754,7 @@ L30:
         }
 
     }
-    else if (*rvec && !strncmp(type__, "BUCKLE", 6))
+    else if (*rvec && !std::strncmp(type__, "BUCKLE", 6))
     {
 
         i__1 = nconv - 1;
@@ -5766,7 +5766,7 @@ L30:
 
     }
 
-    if (strncmp(type__, "REGULR", 6))
+    if (std::strncmp(type__, "REGULR", 6))
     {
         F77_FUNC(sger, SGER) (n, &nconv, &c_b102, &resid[1], &c__1, &workl[iw], &c__1, &z__[
                                   z_offset], ldz);
diff --git a/src/gromacs/linearalgebra/gmx_blas/dasum.c b/src/gromacs/linearalgebra/gmx_blas/dasum.cpp
similarity index 75%
rename from src/gromacs/linearalgebra/gmx_blas/dasum.c
rename to src/gromacs/linearalgebra/gmx_blas/dasum.cpp
index dd1f713e91..b02fd8ad0b 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dasum.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dasum.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 
 double
@@ -26,7 +26,7 @@ F77_FUNC(dasum,DASUM)(int *n__,
         i__1 = nincx;
         i__2 = incx;
         for (i__ = 1; i__2 < 0 ? i__ >= i__1 : i__ <= i__1; i__ += i__2) {
-            dtemp += fabs(dx[i__]);
+            dtemp += std::abs(dx[i__]);
         }
         return dtemp;
     }
@@ -35,7 +35,7 @@ F77_FUNC(dasum,DASUM)(int *n__,
     if (m != 0) {
         i__2 = m;
         for (i__ = 1; i__ <= i__2; ++i__) {
-            dtemp += fabs(dx[i__]);
+            dtemp += std::abs(dx[i__]);
         }
         if (n < 6) {
             return dtemp;
@@ -44,9 +44,9 @@ F77_FUNC(dasum,DASUM)(int *n__,
     mp1 = m + 1;
     i__2 = n;
     for (i__ = mp1; i__ <= i__2; i__ += 6) {
-        dtemp = dtemp + fabs(dx[i__]) + fabs(dx[i__ + 1]) + 
-        fabs(dx[i__ + 2]) + fabs(dx[i__+ 3]) + fabs(dx[i__ + 4]) +
-        fabs(dx[i__ + 5]);
+        dtemp = dtemp + std::abs(dx[i__]) + std::abs(dx[i__ + 1]) + 
+        std::abs(dx[i__ + 2]) + std::abs(dx[i__+ 3]) + std::abs(dx[i__ + 4]) +
+        std::abs(dx[i__ + 5]);
     }
     return dtemp;
 }
diff --git a/src/gromacs/linearalgebra/gmx_blas/daxpy.c b/src/gromacs/linearalgebra/gmx_blas/daxpy.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/daxpy.c
rename to src/gromacs/linearalgebra/gmx_blas/daxpy.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/dcopy.c b/src/gromacs/linearalgebra/gmx_blas/dcopy.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/dcopy.c
rename to src/gromacs/linearalgebra/gmx_blas/dcopy.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/ddot.c b/src/gromacs/linearalgebra/gmx_blas/ddot.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/ddot.c
rename to src/gromacs/linearalgebra/gmx_blas/ddot.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/dgemm.c b/src/gromacs/linearalgebra/gmx_blas/dgemm.cpp
similarity index 73%
rename from src/gromacs/linearalgebra/gmx_blas/dgemm.c
rename to src/gromacs/linearalgebra/gmx_blas/dgemm.cpp
index 31e7139c5d..ba5120d516 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dgemm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dgemm.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -20,11 +20,10 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
                       double *c,
                       int *ldc__)
 {
-  const char tra=toupper(*transa);
-  const char trb=toupper(*transb);
+  const char tra=std::toupper(*transa);
+  const char trb=std::toupper(*transb);
   double temp;
   int i,j,l;
-  int nrowa,ncola,nrowb;
 
   int m = *m__;
   int n = *n__;
@@ -36,24 +35,11 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
   double alpha = *alpha__;
   double beta  = *beta__;
   
-  if(tra=='N') {
-    nrowa = m;
-    ncola = k;
-  } else {
-    nrowa = k;
-    ncola = m;
-  }
-
-  if(trb=='N') 
-    nrowb = k;
-   else 
-    nrowb = n;
-  
-  if(m==0 || n==0 || (( fabs(alpha)<GMX_DOUBLE_MIN || k==0) && fabs(beta-1.0)<GMX_DOUBLE_EPS))
+  if(m==0 || n==0 || (( std::abs(alpha)<GMX_DOUBLE_MIN || k==0) && std::abs(beta-1.0)<GMX_DOUBLE_EPS))
     return;
 
-  if(fabs(alpha)<GMX_DOUBLE_MIN) {
-    if(fabs(beta)<GMX_DOUBLE_MIN) {
+  if(std::abs(alpha)<GMX_DOUBLE_MIN) {
+    if(std::abs(beta)<GMX_DOUBLE_MIN) {
       for(j=0;j<n;j++)
 	for(i=0;i<m;i++)
 	  c[j*(ldc)+i] = 0.0;
@@ -70,15 +56,15 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
     if(tra=='N') {
       
       for(j=0;j<n;j++) {
-	if(fabs(beta)<GMX_DOUBLE_MIN) {
+	if(std::abs(beta)<GMX_DOUBLE_MIN) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] = 0.0;
-	} else if(fabs(beta-1.0)>GMX_DOUBLE_EPS) {
+	} else if(std::abs(beta-1.0)>GMX_DOUBLE_EPS) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] *= beta;
 	} 
 	for(l=0;l<k;l++) {
-	  if( fabs(b[ j*(ldb) + l ])>GMX_DOUBLE_MIN) {
+	  if( std::abs(b[ j*(ldb) + l ])>GMX_DOUBLE_MIN) {
 	    temp = alpha * b[ j*(ldb) + l ];
 	    for(i=0;i<m;i++)
 	      c[j*(ldc)+i] += temp * a[l*(lda)+i]; 
@@ -92,7 +78,7 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
 	  temp = 0.0;
 	  for(l=0;l<k;l++) 
 	    temp += a[i*(lda)+l] * b[j*(ldb)+l];
-	  if(fabs(beta)<GMX_DOUBLE_MIN)
+	  if(std::abs(beta)<GMX_DOUBLE_MIN)
 	    c[j*(ldc)+i] = alpha * temp;
 	  else
 	    c[j*(ldc)+i] = alpha * temp + beta * c[j*(ldc)+i];
@@ -106,15 +92,15 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
       /* transpose B, but not A */
 
       for(j=0;j<n;j++) {
-	if(fabs(beta)<GMX_DOUBLE_MIN) {
+	if(std::abs(beta)<GMX_DOUBLE_MIN) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] = 0.0;
-	} else if(fabs(beta-1.0)>GMX_DOUBLE_EPS) {
+	} else if(std::abs(beta-1.0)>GMX_DOUBLE_EPS) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] *= beta;
 	} 
 	for(l=0;l<k;l++) {
-	  if( fabs(b[ l*(ldb) + j ])>GMX_DOUBLE_MIN) {
+	  if( std::abs(b[ l*(ldb) + j ])>GMX_DOUBLE_MIN) {
 	    temp = alpha * b[ l*(ldb) + j ];
 	    for(i=0;i<m;i++)
 	      c[j*(ldc)+i] += temp * a[l*(lda)+i]; 
@@ -129,7 +115,7 @@ F77_FUNC(dgemm,DGEMM)(const char *transa,
 	  temp = 0.0;
 	  for(l=0;l<k;l++) 
 	    temp += a[i*(lda)+l] * b[l*(ldb)+j];
-	  if(fabs(beta)<GMX_DOUBLE_MIN)
+	  if(std::abs(beta)<GMX_DOUBLE_MIN)
 	    c[j*(ldc)+i] = alpha * temp;
 	  else
 	    c[j*(ldc)+i] = alpha * temp + beta * c[j*(ldc)+i];
diff --git a/src/gromacs/linearalgebra/gmx_blas/dgemv.c b/src/gromacs/linearalgebra/gmx_blas/dgemv.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_blas/dgemv.c
rename to src/gromacs/linearalgebra/gmx_blas/dgemv.cpp
index 124c778626..e15ff943b3 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dgemv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dgemv.cpp
@@ -1,5 +1,5 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -18,7 +18,7 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
        double *y,
        int *incy__)
 {
-  const char ch=toupper(*trans);
+  const char ch=std::toupper(*trans);
   int lenx,leny,kx,ky;
   int i,j,jx,jy,ix,iy;
   double temp;
@@ -31,7 +31,7 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
   int incy = *incy__;
   int lda = *lda__;
   
-  if(n<=0 || m<=0 || (fabs(alpha)<GMX_DOUBLE_MIN && fabs(beta-1.0)<GMX_DOUBLE_EPS))
+  if(n<=0 || m<=0 || (std::abs(alpha)<GMX_DOUBLE_MIN && std::abs(beta-1.0)<GMX_DOUBLE_EPS))
     return;
 
   if(ch=='N') {
@@ -52,9 +52,9 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
   else
     ky = 1 - (leny -1)*(incy);
  
-  if(fabs(beta-1.0)>GMX_DOUBLE_EPS) {
+  if(std::abs(beta-1.0)>GMX_DOUBLE_EPS) {
     if(incy==1) {
-      if(fabs(beta)<GMX_DOUBLE_MIN)
+      if(std::abs(beta)<GMX_DOUBLE_MIN)
 	for(i=0;i<leny;i++)
 	  y[i] = 0.0;
       else
@@ -63,7 +63,7 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
     } else {
       /* non-unit incr. */
       iy = ky;
-      if(fabs(beta)<GMX_DOUBLE_MIN) 
+      if(std::abs(beta)<GMX_DOUBLE_MIN) 
 	for(i=0;i<leny;i++,iy+=incy)
 	  y[iy] = 0.0;
       else
@@ -72,14 +72,14 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
     }
   }
   
-  if(fabs(alpha)<GMX_DOUBLE_MIN)
+  if(std::abs(alpha)<GMX_DOUBLE_MIN)
     return;
   
   if(ch=='N') {
     jx = kx;
     if(incy==1) {
       for(j=1;j<=n;j++,jx+=incx) 
-	if(fabs(x[jx-1])>GMX_DOUBLE_MIN) {
+	if(std::abs(x[jx-1])>GMX_DOUBLE_MIN) {
 	  temp = alpha * x[jx-1];
 	  for(i=1;i<=m;i++)
 	    y[i-1] += temp * a[(j-1)*(lda)+(i-1)];
@@ -87,7 +87,7 @@ F77_FUNC(dgemv,DGEMV)(const char *trans,
     } else {
       /* non-unit y incr. */
       for(j=1;j<=n;j++,jx+=incx) 
-	if(fabs(x[jx-1])>GMX_DOUBLE_MIN) {
+	if(std::abs(x[jx-1])>GMX_DOUBLE_MIN) {
 	  temp = alpha * x[jx-1];
 	  iy = ky;
 	  for(i=1;i<=m;i++,iy+=incy)
diff --git a/src/gromacs/linearalgebra/gmx_blas/dger.c b/src/gromacs/linearalgebra/gmx_blas/dger.cpp
similarity index 87%
rename from src/gromacs/linearalgebra/gmx_blas/dger.c
rename to src/gromacs/linearalgebra/gmx_blas/dger.cpp
index 926b53e480..fce64afa0d 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dger.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dger.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -27,7 +27,7 @@ F77_FUNC(dger,DGER)(int *m__,
     int lda = *lda__;
     double alpha = *alpha__;
     
-    if(m<=0 || n<=0 || fabs(alpha)<GMX_DOUBLE_MIN)
+    if(m<=0 || n<=0 || std::abs(alpha)<GMX_DOUBLE_MIN)
         return;
     
     if(incy>0)
@@ -37,7 +37,7 @@ F77_FUNC(dger,DGER)(int *m__,
     
     if(incx==1) {
         for(j=0;j<n;j++,jy+=incy)
-            if(fabs(y[jy])>GMX_DOUBLE_MIN) {
+            if(std::abs(y[jy])>GMX_DOUBLE_MIN) {
                 temp = alpha * y[jy];
                 for(i=0;i<m;i++)
                     a[j*(lda)+i] += temp*x[i];
@@ -50,7 +50,7 @@ F77_FUNC(dger,DGER)(int *m__,
             kx = incx * (1 - m);
         
         for(j=0;j<n;j++,jy+=incy) {
-            if(fabs(y[jy])>GMX_DOUBLE_MIN) {
+            if(std::abs(y[jy])>GMX_DOUBLE_MIN) {
                 temp = alpha * y[jy];
                 ix = kx;
                 for(i=0;i<m;i++,ix+=incx)
diff --git a/src/gromacs/linearalgebra/gmx_blas/dnrm2.c b/src/gromacs/linearalgebra/gmx_blas/dnrm2.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_blas/dnrm2.c
rename to src/gromacs/linearalgebra/gmx_blas/dnrm2.cpp
index 251d810c17..746ea46477 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dnrm2.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dnrm2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -30,7 +30,7 @@ F77_FUNC(dnrm2,DNRM2)(int  *     n__,
     max_ix = 1+(n-1)*(incx);
     for(ix=1;ix<=max_ix;ix+=incx) {
         t = x[ix-1];
-        if(fabs(t)>GMX_DOUBLE_MIN) {
+        if(std::abs(t)>GMX_DOUBLE_MIN) {
             absxi = (t>=0) ? t : (-t);
             if(scale<absxi) {
                 t = scale/absxi;
@@ -43,7 +43,7 @@ F77_FUNC(dnrm2,DNRM2)(int  *     n__,
             }
         }
     }
-    return scale*sqrt(ssq);
+    return scale*std::sqrt(ssq);
     
 }
 
diff --git a/src/gromacs/linearalgebra/gmx_blas/drot.c b/src/gromacs/linearalgebra/gmx_blas/drot.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/drot.c
rename to src/gromacs/linearalgebra/gmx_blas/drot.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/dscal.c b/src/gromacs/linearalgebra/gmx_blas/dscal.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/dscal.c
rename to src/gromacs/linearalgebra/gmx_blas/dscal.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/dswap.c b/src/gromacs/linearalgebra/gmx_blas/dswap.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/dswap.c
rename to src/gromacs/linearalgebra/gmx_blas/dswap.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/dsymv.c b/src/gromacs/linearalgebra/gmx_blas/dsymv.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_blas/dsymv.c
rename to src/gromacs/linearalgebra/gmx_blas/dsymv.cpp
index 1e0b0244ae..8ff3305231 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dsymv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dsymv.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -16,7 +16,7 @@ F77_FUNC(dsymv,DSYMV)(const char *uplo,
        double *y,
        int *incy__)
 {
-    const char ch=toupper(*uplo);
+    const char ch=std::toupper(*uplo);
     int kx,ky,i,j,ix,iy,jx,jy;
     double temp1,temp2;
     
@@ -40,9 +40,9 @@ F77_FUNC(dsymv,DSYMV)(const char *uplo,
     else
         ky = 1 - (n -1)*(incy);
     
-    if(fabs(beta-1.0)>GMX_DOUBLE_EPS) {
+    if(std::abs(beta-1.0)>GMX_DOUBLE_EPS) {
         if(incy==1) {
-            if(fabs(beta)<GMX_DOUBLE_MIN) 
+            if(std::abs(beta)<GMX_DOUBLE_MIN) 
                 for(i=1;i<=n;i++)
                     y[i-1] = 0.0;
             else
@@ -51,7 +51,7 @@ F77_FUNC(dsymv,DSYMV)(const char *uplo,
         } else {
             /* non-unit incr. */
             iy = ky;
-            if(fabs(beta)<GMX_DOUBLE_MIN) 
+            if(std::abs(beta)<GMX_DOUBLE_MIN) 
                 for(i=1;i<=n;i++) {
                     y[iy-1] = 0.0;
                     iy += incy;
@@ -64,7 +64,7 @@ F77_FUNC(dsymv,DSYMV)(const char *uplo,
         }
     }
         
-        if(fabs(alpha)<GMX_DOUBLE_MIN) 
+        if(std::abs(alpha)<GMX_DOUBLE_MIN) 
             return;
         
         if(ch=='U') {
diff --git a/src/gromacs/linearalgebra/gmx_blas/dsyr2.c b/src/gromacs/linearalgebra/gmx_blas/dsyr2.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_blas/dsyr2.c
rename to src/gromacs/linearalgebra/gmx_blas/dsyr2.cpp
index 508f3b29b7..a3d7ea5b0d 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dsyr2.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dsyr2.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -18,7 +18,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
 {
     int kx,ky,ix,iy,jx,jy,j,i;
     double temp1,temp2;
-    const char ch=toupper(*uplo);
+    const char ch=std::toupper(*uplo);
     
     int n = *n__;
     int lda = *lda__;
@@ -27,7 +27,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
     float alpha = *alpha__;
     
     
-    if(n<=0 || fabs(alpha)<GMX_DOUBLE_MIN || incx==0 || incy==0 ||
+    if(n<=0 || std::abs(alpha)<GMX_DOUBLE_MIN || incx==0 || incy==0 ||
        (ch != 'U' && ch != 'L'))
         return;
     
@@ -53,7 +53,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
         if(incx==1 && incy==1) {
             /* Unit increments for both x and y */
             for(j=1;j<=n;j++) {
-                if( fabs(x[j-1])>GMX_DOUBLE_MIN  || fabs(y[j-1])>GMX_DOUBLE_MIN ) {
+                if( std::abs(x[j-1])>GMX_DOUBLE_MIN  || std::abs(y[j-1])>GMX_DOUBLE_MIN ) {
                     temp1 = alpha * y[j-1];
                     temp2 = alpha * x[j-1];
                     for(i=1;i<=j;i++)
@@ -65,7 +65,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
             /* non-unit increments */
             for(j=1;j<=n;j++) {
                 
-                if( fabs(x[jx-1])>GMX_DOUBLE_MIN || fabs(y[jy-1])>GMX_DOUBLE_MIN ) {
+                if( std::abs(x[jx-1])>GMX_DOUBLE_MIN || std::abs(y[jy-1])>GMX_DOUBLE_MIN ) {
                     temp1 = alpha * y[jy-1];
                     temp2 = alpha * x[jx-1];
                     ix = kx;
@@ -85,7 +85,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
         if(incx==1 && incy==1) {
             /* Unit increments for both x and y */
             for(j=1;j<=n;j++) {
-                if( fabs(x[j-1])>GMX_DOUBLE_MIN  || fabs(y[j-1])>GMX_DOUBLE_MIN ) {
+                if( std::abs(x[j-1])>GMX_DOUBLE_MIN  || std::abs(y[j-1])>GMX_DOUBLE_MIN ) {
                     temp1 = alpha * y[j-1];
                     temp2 = alpha * x[j-1];
                     for(i=j;i<=n;i++)
@@ -97,7 +97,7 @@ F77_FUNC(dsyr2,DSYR2)(const char *    uplo,
             /* non-unit increments */
             for(j=1;j<=n;j++) {
                 
-                if( fabs(x[jx-1])>GMX_DOUBLE_MIN || fabs(y[jy-1])>GMX_DOUBLE_MIN ) {
+                if( std::abs(x[jx-1])>GMX_DOUBLE_MIN || std::abs(y[jy-1])>GMX_DOUBLE_MIN ) {
                     temp1 = alpha * y[jy-1];
                     temp2 = alpha * x[jx-1];
                     ix = jx;
diff --git a/src/gromacs/linearalgebra/gmx_blas/dsyr2k.c b/src/gromacs/linearalgebra/gmx_blas/dsyr2k.cpp
similarity index 76%
rename from src/gromacs/linearalgebra/gmx_blas/dsyr2k.c
rename to src/gromacs/linearalgebra/gmx_blas/dsyr2k.cpp
index e863f5b56c..da800b1766 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dsyr2k.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dsyr2k.cpp
@@ -1,6 +1,5 @@
-#include <math.h>
-#include <ctype.h>
-
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -20,7 +19,6 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
 	int *ldc__)
 {
   char ch1,ch2;
-  int nrowa;
   int i,j,l;
   double temp1,temp2;
 
@@ -34,20 +32,15 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
   double alpha = *alpha__;
   double beta  = *beta__;
   
-  ch1 = toupper(*uplo);
-  ch2 = toupper(*trans);
-
-  if(ch2 == 'N')
-    nrowa = n;
-  else
-    nrowa = k;
+  ch1 = std::toupper(*uplo);
+  ch2 = std::toupper(*trans);
 
-  if(n==0 || ( ( fabs(alpha)<GMX_DOUBLE_MIN || k==0 ) && fabs(beta-1.0)<GMX_DOUBLE_EPS))
+  if(n==0 || ( ( std::abs(alpha)<GMX_DOUBLE_MIN || k==0 ) && std::abs(beta-1.0)<GMX_DOUBLE_EPS))
     return;
 
-  if(fabs(alpha)<GMX_DOUBLE_MIN ) {
+  if(std::abs(alpha)<GMX_DOUBLE_MIN ) {
     if(ch1=='U') {
-      if(fabs(beta)<GMX_DOUBLE_MIN) 
+      if(std::abs(beta)<GMX_DOUBLE_MIN) 
 	for(j=1;j<=n;j++) 
 	  for(i=1;i<=j;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
@@ -57,7 +50,7 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
     } else {
       /* lower */
-      if(fabs(beta)<GMX_DOUBLE_MIN) 
+      if(std::abs(beta)<GMX_DOUBLE_MIN) 
 	for(j=1;j<=n;j++) 
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
@@ -72,15 +65,15 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
   if(ch2=='N') {
     if(ch1=='U') {
       for(j=1;j<=n;j++) {
-	if(fabs(beta)<GMX_DOUBLE_MIN)
+	if(std::abs(beta)<GMX_DOUBLE_MIN)
 	  for(i=1;i<=j;i++)
 	     c[(j-1)*(ldc)+(i-1)] = 0.0;
-	else if(fabs(beta-1.0)>GMX_DOUBLE_EPS)
+	else if(std::abs(beta-1.0)>GMX_DOUBLE_EPS)
 	  for(i=1;i<=j;i++)
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
 	for(l=1;l<=k;l++) {
-	  if( fabs(a[(l-1)*(lda)+(j-1)])>GMX_DOUBLE_MIN ||
-	      fabs(b[(l-1)*(ldb)+(j-1)])>GMX_DOUBLE_MIN) {
+	  if( std::abs(a[(l-1)*(lda)+(j-1)])>GMX_DOUBLE_MIN ||
+	      std::abs(b[(l-1)*(ldb)+(j-1)])>GMX_DOUBLE_MIN) {
 	    temp1 = alpha * b[(l-1)*(ldb)+(j-1)];
 	    temp2 = alpha * a[(l-1)*(lda)+(j-1)];
 	    for(i=1;i<=j;i++)
@@ -93,15 +86,15 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
     } else {
       /* lower */
       for(j=1;j<=n;j++) {
-	if(fabs(beta)<GMX_DOUBLE_MIN)
+	if(std::abs(beta)<GMX_DOUBLE_MIN)
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
-	else if(fabs(beta-1.0)>GMX_DOUBLE_EPS)
+	else if(std::abs(beta-1.0)>GMX_DOUBLE_EPS)
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
 	for(l=1;l<=k;l++) {
-	  if( fabs(a[(l-1)*(lda)+(j-1)])>GMX_DOUBLE_MIN ||
-	      fabs(b[(l-1)*(ldb)+(j-1)])>GMX_DOUBLE_MIN) {
+	  if( std::abs(a[(l-1)*(lda)+(j-1)])>GMX_DOUBLE_MIN ||
+	      std::abs(b[(l-1)*(ldb)+(j-1)])>GMX_DOUBLE_MIN) {
 	    temp1 = alpha * b[(l-1)*(ldb)+(j-1)];
 	    temp2 = alpha * a[(l-1)*(lda)+(j-1)];
 	    for(i=j;i<=n;i++)
@@ -123,7 +116,7 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
 	     temp1 += a[(i-1)*(lda)+(l-1)] * b[(j-1)*(ldb)+(l-1)];
 	     temp2 += b[(i-1)*(ldb)+(l-1)] * a[(j-1)*(lda)+(l-1)];
 	  }
-	  if(fabs(beta)<GMX_DOUBLE_MIN)
+	  if(std::abs(beta)<GMX_DOUBLE_MIN)
 	    c[(j-1)*(ldc)+(i-1)] = alpha * (temp1 + temp2);
 	  else
 	    c[(j-1)*(ldc)+(i-1)] = beta * c[(j-1)*(ldc)+(i-1)] +
@@ -139,7 +132,7 @@ F77_FUNC(dsyr2k,DSYR2K)(const char *uplo,
 	     temp1 += a[(i-1)*(lda)+(l-1)] * b[(j-1)*(ldb)+(l-1)];
 	     temp2 += b[(i-1)*(ldb)+(l-1)] * a[(j-1)*(lda)+(l-1)];
 	  }
-	  if(fabs(beta)<GMX_DOUBLE_MIN)
+	  if(std::abs(beta)<GMX_DOUBLE_MIN)
 	    c[(j-1)*(ldc)+(i-1)] = alpha * (temp1 + temp2);
 	  else
 	    c[(j-1)*(ldc)+(i-1)] = beta * c[(j-1)*(ldc)+(i-1)] +
diff --git a/src/gromacs/linearalgebra/gmx_blas/dtrmm.c b/src/gromacs/linearalgebra/gmx_blas/dtrmm.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_blas/dtrmm.c
rename to src/gromacs/linearalgebra/gmx_blas/dtrmm.cpp
index d6ca04250c..3624bd4e34 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dtrmm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dtrmm.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -26,10 +26,9 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
     double alpha = *alpha__;
     
     /* Local variables */
-    int i__, j, k, info;
+    int i__, j, k;
     double temp;
     int lside;
-    int nrowa;
     int upper;
     int nounit;
     a_dim1 = lda;
@@ -41,20 +40,14 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 
     /* Function Body */
     lside = (*side=='L' || *side=='l');
-    if (lside) {
-	nrowa = m;
-    } else {
-	nrowa = n;
-    }
+
     nounit = (*diag=='N' || *diag=='n');
     upper = (*uplo=='U' || *uplo=='u');
 
-    info = 0;
-
     if (n == 0) {
 	return;
     }
-    if (fabs(alpha)<GMX_DOUBLE_MIN) {
+    if (std::abs(alpha)<GMX_DOUBLE_MIN) {
 	i__1 = n;
 	for (j = 1; j <= i__1; ++j) {
 	    i__2 = m;
@@ -71,7 +64,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    i__2 = m;
 		    for (k = 1; k <= i__2; ++k) {
-			if (fabs(b[k + j * b_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(b[k + j * b_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * b[k + j * b_dim1];
 			    i__3 = k - 1;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -88,7 +81,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
 		    for (k = m; k >= 1; --k) {
-			if (fabs(b[k + j * b_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(b[k + j * b_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * b[k + j * b_dim1];
 			    b[k + j * b_dim1] = temp;
 			    if (nounit) {
@@ -153,7 +146,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		    }
 		    i__1 = j - 1;
 		    for (k = 1; k <= i__1; ++k) {
-			if (fabs(a[k + j * a_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(a[k + j * a_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * a[k + j * a_dim1];
 			    i__2 = m;
 			    for (i__ = 1; i__ <= i__2; ++i__) {
@@ -176,7 +169,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		    }
 		    i__2 = n;
 		    for (k = j + 1; k <= i__2; ++k) {
-			if (fabs(a[k + j * a_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(a[k + j * a_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * a[k + j * a_dim1];
 			    i__3 = m;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -194,7 +187,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		for (k = 1; k <= i__1; ++k) {
 		    i__2 = k - 1;
 		    for (j = 1; j <= i__2; ++j) {
-			if (fabs(a[j + k * a_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(a[j + k * a_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * a[j + k * a_dim1];
 			    i__3 = m;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -207,7 +200,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		    if (nounit) {
 			temp *= a[k + k * a_dim1];
 		    }
-		    if (fabs(temp-1.0)>GMX_DOUBLE_EPS) {
+		    if (std::abs(temp-1.0)>GMX_DOUBLE_EPS) {
 			i__2 = m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    b[i__ + k * b_dim1] = temp * b[i__ + k * b_dim1];
@@ -218,7 +211,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		for (k = n; k >= 1; --k) {
 		    i__1 = n;
 		    for (j = k + 1; j <= i__1; ++j) {
-			if (fabs(a[j + k * a_dim1])>GMX_DOUBLE_MIN) {
+			if (std::abs(a[j + k * a_dim1])>GMX_DOUBLE_MIN) {
 			    temp = alpha * a[j + k * a_dim1];
 			    i__2 = m;
 			    for (i__ = 1; i__ <= i__2; ++i__) {
@@ -231,7 +224,7 @@ F77_FUNC(dtrmm,DTRMM)(const char *side,
 		    if (nounit) {
 			temp *= a[k + k * a_dim1];
 		    }
-		    if (fabs(temp-1.0)>GMX_DOUBLE_EPS) {
+		    if (std::abs(temp-1.0)>GMX_DOUBLE_EPS) {
 			i__1 = m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    b[i__ + k * b_dim1] = temp * b[i__ + k * b_dim1];
diff --git a/src/gromacs/linearalgebra/gmx_blas/dtrmv.c b/src/gromacs/linearalgebra/gmx_blas/dtrmv.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_blas/dtrmv.c
rename to src/gromacs/linearalgebra/gmx_blas/dtrmv.cpp
index bb3909a8a3..d8bee74e3a 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dtrmv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dtrmv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -15,7 +15,7 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
 {
     int a_dim1, a_offset, i__1, i__2;
 
-    int i__, j, ix, jx, kx, info;
+    int i__, j, ix, jx, kx;
     double temp;
     int nounit;
     
@@ -28,8 +28,6 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
     a -= a_offset;
     --x;
 
-    info = 0;
-
     if (n == 0) {
 	return;
     }
@@ -48,7 +46,7 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
 	    if (incx == 1) {
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
-		    if (fabs(x[j])>GMX_DOUBLE_MIN) {
+		    if (std::abs(x[j])>GMX_DOUBLE_MIN) {
 			temp = x[j];
 			i__2 = j - 1;
 			for (i__ = 1; i__ <= i__2; ++i__) {
@@ -63,7 +61,7 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
 		jx = kx;
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
-		    if (fabs(x[jx])>GMX_DOUBLE_MIN) {
+		    if (std::abs(x[jx])>GMX_DOUBLE_MIN) {
 			temp = x[jx];
 			ix = kx;
 			i__2 = j - 1;
@@ -81,7 +79,7 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
 	} else {
 	    if (incx == 1) {
 		for (j = n; j >= 1; --j) {
-		    if (fabs(x[j])>GMX_DOUBLE_MIN) {
+		    if (std::abs(x[j])>GMX_DOUBLE_MIN) {
 			temp = x[j];
 			i__1 = j + 1;
 			for (i__ = n; i__ >= i__1; --i__) {
@@ -96,7 +94,7 @@ F77_FUNC(dtrmv,DTRMV)(const char *uplo,
 		kx += (n - 1) * incx;
 		jx = kx;
 		for (j = n; j >= 1; --j) {
-		    if (fabs(x[jx])>GMX_DOUBLE_MIN) {
+		    if (std::abs(x[jx])>GMX_DOUBLE_MIN) {
 			temp = x[jx];
 			ix = kx;
 			i__1 = j + 1;
diff --git a/src/gromacs/linearalgebra/gmx_blas/dtrsm.c b/src/gromacs/linearalgebra/gmx_blas/dtrsm.cpp
similarity index 80%
rename from src/gromacs/linearalgebra/gmx_blas/dtrsm.c
rename to src/gromacs/linearalgebra/gmx_blas/dtrsm.cpp
index 52b89b7bf0..d92a2e638d 100644
--- a/src/gromacs/linearalgebra/gmx_blas/dtrsm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/dtrsm.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -17,10 +17,10 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
        double *b,
        int *  ldb__)
 {
-  const char xside  = toupper(*side);
-  const char xuplo  = toupper(*uplo);
-  const char xtrans = toupper(*transa);
-  const char xdiag  = toupper(*diag);
+  const char xside  = std::toupper(*side);
+  const char xuplo  = std::toupper(*uplo);
+  const char xtrans = std::toupper(*transa);
+  const char xdiag  = std::toupper(*diag);
   int i,j,k;
   double temp;
 
@@ -34,7 +34,7 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
   if(n<=0)
     return;
   
-  if(fabs(alpha)<GMX_DOUBLE_MIN) { 
+  if(std::abs(alpha)<GMX_DOUBLE_MIN) { 
     for(j=0;j<n;j++)
       for(i=0;i<m;i++)
 	b[j*(ldb)+i] = 0.0;
@@ -48,12 +48,12 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
       if(xuplo=='U') {
 	/* upper */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_DOUBLE_EPS) {
+	  if(std::abs(alpha-1.0)>GMX_DOUBLE_EPS) {
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  }
 	  for(k=m-1;k>=0;k--) {
-	    if(fabs(b[j*(ldb)+k])>GMX_DOUBLE_MIN) {
+	    if(std::abs(b[j*(ldb)+k])>GMX_DOUBLE_MIN) {
 	      if(xdiag=='N')
 		b[j*(ldb)+k] /= a[k*(lda)+k];
 	      for(i=0;i<k;i++)
@@ -64,11 +64,11 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
       } else {
 	/* lower */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_DOUBLE_EPS)
+	  if(std::abs(alpha-1.0)>GMX_DOUBLE_EPS)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=0;k<m;k++) {
-	    if(fabs(b[j*(ldb)+k])>GMX_DOUBLE_MIN) {
+	    if(std::abs(b[j*(ldb)+k])>GMX_DOUBLE_MIN) {
 	      if(xdiag=='N')
 		b[j*(ldb)+k] /= a[k*(lda)+k];
 	      for(i=k+1;i<m;i++)
@@ -112,11 +112,11 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
       if(xuplo=='U') {
 	/* upper */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_DOUBLE_EPS)
+	  if(std::abs(alpha-1.0)>GMX_DOUBLE_EPS)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=0;k<j;k++) {
-	    if(fabs(a[j*(lda)+k])>GMX_DOUBLE_MIN) {
+	    if(std::abs(a[j*(lda)+k])>GMX_DOUBLE_MIN) {
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= a[j*(lda)+k]*b[k*(ldb)+i];
 	    }
@@ -130,11 +130,11 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
       } else {
 	/* lower */
 	for(j=n-1;j>=0;j--) {
-	  if(fabs(alpha)>GMX_DOUBLE_MIN)
+	  if(std::abs(alpha)>GMX_DOUBLE_MIN)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=j+1;k<n;k++) {
-	    if(fabs(a[j*(lda)+k])>GMX_DOUBLE_MIN) {
+	    if(std::abs(a[j*(lda)+k])>GMX_DOUBLE_MIN) {
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= a[j*(lda)+k]*b[k*(ldb)+i];
 	    }
@@ -157,13 +157,13 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
 	      b[k*(ldb)+i] *= temp;
 	  }
 	  for(j=0;j<k;j++) {
-	    if(fabs(a[k*(lda)+j])>GMX_DOUBLE_MIN) {
+	    if(std::abs(a[k*(lda)+j])>GMX_DOUBLE_MIN) {
 	      temp = a[k*(lda)+j];
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= temp * b[k*(ldb)+i];
 	    }
 	  }
-	  if(fabs(alpha-1.0)>GMX_DOUBLE_EPS)
+	  if(std::abs(alpha-1.0)>GMX_DOUBLE_EPS)
 	    for(i=0;i<m;i++)
 	      b[k*(ldb)+i] *= alpha;
 	}
@@ -176,13 +176,13 @@ F77_FUNC(dtrsm,DTRSM)(const char * side,
 	      b[k*(ldb)+i] *= temp;
 	  }
 	  for(j=k+1;j<n;j++) {
-	    if(fabs(a[k*(lda)+j])>GMX_DOUBLE_MIN) {
+	    if(std::abs(a[k*(lda)+j])>GMX_DOUBLE_MIN) {
 	      temp = a[k*(lda)+j];
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= temp * b[k*(ldb)+i];
 	    }
 	  }
-	  if(fabs(alpha-1.0)>GMX_DOUBLE_EPS)
+	  if(std::abs(alpha-1.0)>GMX_DOUBLE_EPS)
 	    for(i=0;i<m;i++)
 	      b[k*(ldb)+i] *= alpha;
 	}
diff --git a/src/gromacs/linearalgebra/gmx_blas/idamax.c b/src/gromacs/linearalgebra/gmx_blas/idamax.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_blas/idamax.c
rename to src/gromacs/linearalgebra/gmx_blas/idamax.cpp
index f4df699f6a..25822fb55b 100644
--- a/src/gromacs/linearalgebra/gmx_blas/idamax.c
+++ b/src/gromacs/linearalgebra/gmx_blas/idamax.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 
 int
@@ -18,12 +18,12 @@ F77_FUNC(idamax,IDAMAX)(int *n__,
   if(n==1)
     return 1;
 
-  dmax = fabs(dx[0]);
+  dmax = std::abs(dx[0]);
   idxmax = 1;
 
   if(incx==1) {
     for(i=1;i<n;i++) {
-      tmp = fabs(dx[i]);
+      tmp = std::abs(dx[i]);
       if(tmp>dmax) {
 	dmax = tmp;
 	idxmax = i+1;
@@ -33,7 +33,7 @@ F77_FUNC(idamax,IDAMAX)(int *n__,
     /* Non-unit increments */
     ix = incx; /* this is really 0 + an increment */
     for(i=1;i<n;i++,ix+=incx) {
-      tmp = fabs(dx[ix]);
+      tmp = std::abs(dx[ix]);
       if(tmp>dmax) {
 	dmax = tmp;
 	idxmax = ix+1;
diff --git a/src/gromacs/linearalgebra/gmx_blas/isamax.c b/src/gromacs/linearalgebra/gmx_blas/isamax.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_blas/isamax.c
rename to src/gromacs/linearalgebra/gmx_blas/isamax.cpp
index 2f12ead63f..2ea16c06d4 100644
--- a/src/gromacs/linearalgebra/gmx_blas/isamax.c
+++ b/src/gromacs/linearalgebra/gmx_blas/isamax.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 
 int
@@ -18,12 +18,12 @@ F77_FUNC(isamax,ISAMAX)(int *n__,
   if(n==1)
     return 1;
 
-  dmax = fabs(dx[0]);
+  dmax = std::abs(dx[0]);
   idxmax = 1;
 
   if(incx==1) {
     for(i=1;i<n;i++) {
-      tmp = fabs(dx[i]);
+      tmp = std::abs(dx[i]);
       if(tmp>dmax) {
 	dmax = tmp;
 	idxmax = i+1;
@@ -33,7 +33,7 @@ F77_FUNC(isamax,ISAMAX)(int *n__,
     /* Non-unit increments */
     ix = incx; /* this is really 0 + an increment */
     for(i=1;i<n;i++,ix+=incx) {
-      tmp = fabs(dx[ix]);
+      tmp = std::abs(dx[ix]);
       if(tmp>dmax) {
 	dmax = tmp;
 	idxmax = ix+1;
diff --git a/src/gromacs/linearalgebra/gmx_blas/sasum.c b/src/gromacs/linearalgebra/gmx_blas/sasum.cpp
similarity index 74%
rename from src/gromacs/linearalgebra/gmx_blas/sasum.c
rename to src/gromacs/linearalgebra/gmx_blas/sasum.cpp
index c622c42af2..91e9ad9081 100644
--- a/src/gromacs/linearalgebra/gmx_blas/sasum.c
+++ b/src/gromacs/linearalgebra/gmx_blas/sasum.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 
 float
@@ -27,7 +27,7 @@ F77_FUNC(sasum,SASUM)(int *n__,
         i__1 = nincx;
         i__2 = incx;
         for (i__ = 1; i__2 < 0 ? i__ >= i__1 : i__ <= i__1; i__ += i__2) {
-            dtemp += fabs(dx[i__]);
+            dtemp += std::abs(dx[i__]);
         }
         return dtemp;
     }
@@ -36,7 +36,7 @@ F77_FUNC(sasum,SASUM)(int *n__,
     if (m != 0) {
         i__2 = m;
         for (i__ = 1; i__ <= i__2; ++i__) {
-            dtemp += fabs(dx[i__]);
+            dtemp += std::abs(dx[i__]);
         }
         if (n < 6) {
             return dtemp;
@@ -45,9 +45,9 @@ F77_FUNC(sasum,SASUM)(int *n__,
     mp1 = m + 1;
     i__2 = n;
     for (i__ = mp1; i__ <= i__2; i__ += 6) {
-        dtemp = dtemp + fabs(dx[i__]) + fabs(dx[i__ + 1]) + 
-        fabs(dx[i__ + 2]) + fabs(dx[i__+ 3]) + fabs(dx[i__ + 4]) +
-        fabs(dx[i__ + 5]);
+        dtemp = dtemp + std::abs(dx[i__]) + std::abs(dx[i__ + 1]) + 
+        std::abs(dx[i__ + 2]) + std::abs(dx[i__+ 3]) + std::abs(dx[i__ + 4]) +
+        std::abs(dx[i__ + 5]);
     }
     return dtemp;
 }
diff --git a/src/gromacs/linearalgebra/gmx_blas/saxpy.c b/src/gromacs/linearalgebra/gmx_blas/saxpy.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/saxpy.c
rename to src/gromacs/linearalgebra/gmx_blas/saxpy.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/scopy.c b/src/gromacs/linearalgebra/gmx_blas/scopy.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/scopy.c
rename to src/gromacs/linearalgebra/gmx_blas/scopy.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/sdot.c b/src/gromacs/linearalgebra/gmx_blas/sdot.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/sdot.c
rename to src/gromacs/linearalgebra/gmx_blas/sdot.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/sgemm.c b/src/gromacs/linearalgebra/gmx_blas/sgemm.cpp
similarity index 72%
rename from src/gromacs/linearalgebra/gmx_blas/sgemm.c
rename to src/gromacs/linearalgebra/gmx_blas/sgemm.cpp
index 1904f20207..1c3b7f87d1 100644
--- a/src/gromacs/linearalgebra/gmx_blas/sgemm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/sgemm.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -19,11 +19,10 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
        float *c,
        int *ldc__)
 {
-  const char tra=toupper(*transa);
-  const char trb=toupper(*transb);
+  const char tra=std::toupper(*transa);
+  const char trb=std::toupper(*transb);
   float temp;
   int i,j,l;
-  int nrowa,ncola,nrowb;
 
   int m   = *m__;
   int n   = *n__;
@@ -35,24 +34,11 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
   float alpha = *alpha__;
   float beta  = *beta__;
   
-  if(tra=='N') {
-    nrowa = m;
-    ncola = k;
-  } else {
-    nrowa = k;
-    ncola = m;
-  }
-
-  if(trb=='N') 
-    nrowb = k;
-   else 
-    nrowb = n;
-  
-  if(m==0 || n==0 || (( fabs(alpha)<GMX_FLOAT_MIN || k==0) && fabs(beta-1.0)<GMX_FLOAT_EPS))
+  if(m==0 || n==0 || (( std::abs(alpha)<GMX_FLOAT_MIN || k==0) && std::abs(beta-1.0)<GMX_FLOAT_EPS))
     return;
 
-  if(fabs(alpha)<GMX_FLOAT_MIN) {
-    if(fabs(beta)<GMX_FLOAT_MIN) {
+  if(std::abs(alpha)<GMX_FLOAT_MIN) {
+    if(std::abs(beta)<GMX_FLOAT_MIN) {
       for(j=0;j<n;j++)
 	for(i=0;i<m;i++)
 	  c[j*(ldc)+i] = 0.0;
@@ -69,15 +55,15 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
     if(tra=='N') {
       
       for(j=0;j<n;j++) {
-	if(fabs(beta)<GMX_FLOAT_MIN) {
+	if(std::abs(beta)<GMX_FLOAT_MIN) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] = 0.0;
-	} else if(fabs(beta-1.0)>GMX_FLOAT_EPS) {
+	} else if(std::abs(beta-1.0)>GMX_FLOAT_EPS) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] *= beta;
 	} 
 	for(l=0;l<k;l++) {
-	  if( fabs(b[ j*(ldb) + l ])>GMX_FLOAT_MIN) {
+	  if( std::abs(b[ j*(ldb) + l ])>GMX_FLOAT_MIN) {
 	    temp = alpha * b[ j*(ldb) + l ];
 	    for(i=0;i<m;i++)
 	      c[j*(ldc)+i] += temp * a[l*(lda)+i]; 
@@ -91,7 +77,7 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
 	  temp = 0.0;
 	  for(l=0;l<k;l++) 
 	    temp += a[i*(lda)+l] * b[j*(ldb)+l];
-	  if(fabs(beta)<GMX_FLOAT_MIN)
+	  if(std::abs(beta)<GMX_FLOAT_MIN)
 	    c[j*(ldc)+i] = alpha * temp;
 	  else
 	    c[j*(ldc)+i] = alpha * temp + beta * c[j*(ldc)+i];
@@ -105,15 +91,15 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
       /* transpose B, but not A */
 
       for(j=0;j<n;j++) {
-	if(fabs(beta)<GMX_FLOAT_MIN) {
+	if(std::abs(beta)<GMX_FLOAT_MIN) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] = 0.0;
-	} else if(fabs(beta-1.0)>GMX_FLOAT_EPS) {
+	} else if(std::abs(beta-1.0)>GMX_FLOAT_EPS) {
 	  for(i=0;i<m;i++)
 	    c[j*(ldc)+i] *= beta;
 	} 
 	for(l=0;l<k;l++) {
-	  if( fabs(b[ l*(ldb) + j ])>GMX_FLOAT_MIN) {
+	  if( std::abs(b[ l*(ldb) + j ])>GMX_FLOAT_MIN) {
 	    temp = alpha * b[ l*(ldb) + j ];
 	    for(i=0;i<m;i++)
 	      c[j*(ldc)+i] += temp * a[l*(lda)+i]; 
@@ -128,7 +114,7 @@ F77_FUNC(sgemm,SGEMM)(const char *transa,
 	  temp = 0.0;
 	  for(l=0;l<k;l++) 
 	    temp += a[i*(lda)+l] * b[l*(ldb)+j];
-	  if(fabs(beta)<GMX_FLOAT_MIN)
+	  if(std::abs(beta)<GMX_FLOAT_MIN)
 	    c[j*(ldc)+i] = alpha * temp;
 	  else
 	    c[j*(ldc)+i] = alpha * temp + beta * c[j*(ldc)+i];
diff --git a/src/gromacs/linearalgebra/gmx_blas/sgemv.c b/src/gromacs/linearalgebra/gmx_blas/sgemv.cpp
similarity index 83%
rename from src/gromacs/linearalgebra/gmx_blas/sgemv.c
rename to src/gromacs/linearalgebra/gmx_blas/sgemv.cpp
index 1447cd291a..a9264cd8e9 100644
--- a/src/gromacs/linearalgebra/gmx_blas/sgemv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/sgemv.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -17,7 +17,7 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
                       float *y,
                       int *incy__)
 {
-  const char ch=toupper(*trans);
+  const char ch=std::toupper(*trans);
   int lenx,leny,kx,ky;
   int i,j,jx,jy,ix,iy;
   float temp;
@@ -30,7 +30,7 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
   int incy = *incy__;
   int lda = *lda__;
   
-  if(n<=0 || m<=0 || (fabs(alpha)<GMX_FLOAT_MIN && fabs(beta-1.0)<GMX_FLOAT_EPS))
+  if(n<=0 || m<=0 || (std::abs(alpha)<GMX_FLOAT_MIN && std::abs(beta-1.0)<GMX_FLOAT_EPS))
     return;
 
   if(ch=='N') {
@@ -51,9 +51,9 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
   else
     ky = 1 - (leny -1)*(incy);
  
-  if(fabs(beta-1.0)>GMX_FLOAT_EPS) {
+  if(std::abs(beta-1.0)>GMX_FLOAT_EPS) {
     if(incy==1) {
-      if(fabs(beta)<GMX_FLOAT_MIN)
+      if(std::abs(beta)<GMX_FLOAT_MIN)
 	for(i=0;i<leny;i++)
 	  y[i] = 0.0;
       else
@@ -62,7 +62,7 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
     } else {
       /* non-unit incr. */
       iy = ky;
-      if(fabs(beta)<GMX_FLOAT_MIN) 
+      if(std::abs(beta)<GMX_FLOAT_MIN) 
 	for(i=0;i<leny;i++,iy+=incy)
 	  y[iy] = 0.0;
       else
@@ -71,14 +71,14 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
     }
   }
   
-  if(fabs(alpha)<GMX_FLOAT_MIN)
+  if(std::abs(alpha)<GMX_FLOAT_MIN)
     return;
   
   if(ch=='N') {
     jx = kx;
     if(incy==1) {
       for(j=1;j<=n;j++,jx+=incx) 
-	if( fabs(x[jx-1])>GMX_FLOAT_MIN) {
+	if( std::abs(x[jx-1])>GMX_FLOAT_MIN) {
 	  temp = alpha * x[jx-1];
 	  for(i=1;i<=m;i++)
 	    y[i-1] += temp * a[(j-1)*(lda)+(i-1)];
@@ -86,7 +86,7 @@ F77_FUNC(sgemv,SGEMV)(const char *trans,
     } else {
       /* non-unit y incr. */
       for(j=1;j<=n;j++,jx+=incx) 
-	if( fabs(x[jx-1])>GMX_FLOAT_MIN) {
+	if( std::abs(x[jx-1])>GMX_FLOAT_MIN) {
 	  temp = alpha * x[jx-1];
 	  iy = ky;
 	  for(i=1;i<=m;i++,iy+=incy)
diff --git a/src/gromacs/linearalgebra/gmx_blas/sger.c b/src/gromacs/linearalgebra/gmx_blas/sger.cpp
similarity index 87%
rename from src/gromacs/linearalgebra/gmx_blas/sger.c
rename to src/gromacs/linearalgebra/gmx_blas/sger.cpp
index 71947e7222..ac4ca72bb0 100644
--- a/src/gromacs/linearalgebra/gmx_blas/sger.c
+++ b/src/gromacs/linearalgebra/gmx_blas/sger.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -25,7 +25,7 @@ F77_FUNC(sger,SGER)(int *m__,
     int lda = *lda__;
     float alpha = *alpha__;
     
-    if(m<=0 || n<=0 || fabs(alpha)<GMX_FLOAT_MIN)
+    if(m<=0 || n<=0 || std::abs(alpha)<GMX_FLOAT_MIN)
         return;
     
     if(incy>0)
@@ -35,7 +35,7 @@ F77_FUNC(sger,SGER)(int *m__,
     
     if(incx==1) {
         for(j=0;j<n;j++,jy+=incy)
-            if(fabs(y[jy])>GMX_FLOAT_MIN) {
+            if(std::abs(y[jy])>GMX_FLOAT_MIN) {
                 temp = alpha * y[jy];
                 for(i=0;i<m;i++)
                     a[j*(lda)+i] += temp*x[i];
@@ -48,7 +48,7 @@ F77_FUNC(sger,SGER)(int *m__,
             kx = incx * (1 - m);
         
         for(j=0;j<n;j++,jy+=incy) {
-            if(fabs(y[jy])>GMX_FLOAT_MIN) {
+            if(std::abs(y[jy])>GMX_FLOAT_MIN) {
                 temp = alpha * y[jy];
                 ix = kx;
                 for(i=0;i<m;i++,ix+=incx)
diff --git a/src/gromacs/linearalgebra/gmx_blas/snrm2.c b/src/gromacs/linearalgebra/gmx_blas/snrm2.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_blas/snrm2.c
rename to src/gromacs/linearalgebra/gmx_blas/snrm2.cpp
index bbe11bc76e..4a04aa9b10 100644
--- a/src/gromacs/linearalgebra/gmx_blas/snrm2.c
+++ b/src/gromacs/linearalgebra/gmx_blas/snrm2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 
 #include "gromacs/utility/real.h"
@@ -31,7 +31,7 @@ F77_FUNC(snrm2,SNRM2)(int  *     n__,
     max_ix = 1+(n-1)*(incx);
     for(ix=1;ix<=max_ix;ix+=incx) {
         t = x[ix-1];
-        if(fabs(t)>GMX_FLOAT_MIN) {
+        if(std::abs(t)>GMX_FLOAT_MIN) {
             absxi = (t>=0) ? t : (-t);
             if(scale<absxi) {
                 t = scale/absxi;
@@ -44,7 +44,7 @@ F77_FUNC(snrm2,SNRM2)(int  *     n__,
             }
         }
     }
-    return scale*sqrt(ssq);
+    return scale*std::sqrt(ssq);
     
 }
 
diff --git a/src/gromacs/linearalgebra/gmx_blas/srot.c b/src/gromacs/linearalgebra/gmx_blas/srot.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/srot.c
rename to src/gromacs/linearalgebra/gmx_blas/srot.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/sscal.c b/src/gromacs/linearalgebra/gmx_blas/sscal.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/sscal.c
rename to src/gromacs/linearalgebra/gmx_blas/sscal.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/sswap.c b/src/gromacs/linearalgebra/gmx_blas/sswap.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_blas/sswap.c
rename to src/gromacs/linearalgebra/gmx_blas/sswap.cpp
diff --git a/src/gromacs/linearalgebra/gmx_blas/ssymv.c b/src/gromacs/linearalgebra/gmx_blas/ssymv.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_blas/ssymv.c
rename to src/gromacs/linearalgebra/gmx_blas/ssymv.cpp
index 579ead06c7..c0e11e8df4 100644
--- a/src/gromacs/linearalgebra/gmx_blas/ssymv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/ssymv.cpp
@@ -1,5 +1,5 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -16,7 +16,7 @@ F77_FUNC(ssymv,SSYMV)(const char *uplo,
                       float *y,
                       int *incy__)
 {
-    const char ch=toupper(*uplo);
+    const char ch=std::toupper(*uplo);
     int kx,ky,i,j,ix,iy,jx,jy;
     float temp1,temp2;
     
@@ -40,9 +40,9 @@ F77_FUNC(ssymv,SSYMV)(const char *uplo,
     else
         ky = 1 - (n -1)*(incy);
     
-    if(fabs(beta-1.0)>GMX_FLOAT_EPS) {
+    if(std::abs(beta-1.0)>GMX_FLOAT_EPS) {
         if(incy==1) {
-            if(fabs(beta)<GMX_FLOAT_MIN) 
+            if(std::abs(beta)<GMX_FLOAT_MIN) 
                 for(i=1;i<=n;i++)
                     y[i-1] = 0.0;
             else
@@ -51,7 +51,7 @@ F77_FUNC(ssymv,SSYMV)(const char *uplo,
         } else {
             /* non-unit incr. */
             iy = ky;
-            if(fabs(beta)<GMX_FLOAT_MIN) 
+            if(std::abs(beta)<GMX_FLOAT_MIN) 
                 for(i=1;i<=n;i++) {
                     y[iy-1] = 0.0;
                     iy += incy;
@@ -64,7 +64,7 @@ F77_FUNC(ssymv,SSYMV)(const char *uplo,
         }
     }
         
-        if(fabs(alpha)<GMX_FLOAT_MIN) 
+        if(std::abs(alpha)<GMX_FLOAT_MIN) 
             return;
         
         if(ch=='U') {
diff --git a/src/gromacs/linearalgebra/gmx_blas/ssyr2.c b/src/gromacs/linearalgebra/gmx_blas/ssyr2.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_blas/ssyr2.c
rename to src/gromacs/linearalgebra/gmx_blas/ssyr2.cpp
index 022ca09088..a39307c19a 100644
--- a/src/gromacs/linearalgebra/gmx_blas/ssyr2.c
+++ b/src/gromacs/linearalgebra/gmx_blas/ssyr2.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -17,7 +17,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
 {
     int kx,ky,ix,iy,jx,jy,j,i;
     float temp1,temp2;
-    const char ch=toupper(*uplo);
+    const char ch=std::toupper(*uplo);
     
     int n = *n__;
     int lda = *lda__;
@@ -25,7 +25,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
     int incy = *incy__;
     float alpha = *alpha__;
     
-    if(n<=0 || fabs(alpha)<GMX_FLOAT_MIN || incx==0 || incy==0 ||
+    if(n<=0 || std::abs(alpha)<GMX_FLOAT_MIN || incx==0 || incy==0 ||
        (ch != 'U' && ch != 'L'))
         return;
     
@@ -51,7 +51,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
         if(incx==1 && incy==1) {
             /* Unit increments for both x and y */
             for(j=1;j<=n;j++) {
-                if( fabs(x[j-1])>GMX_FLOAT_MIN  || fabs(y[j-1])>GMX_FLOAT_MIN ) {
+                if( std::abs(x[j-1])>GMX_FLOAT_MIN  || std::abs(y[j-1])>GMX_FLOAT_MIN ) {
                     temp1 = alpha * y[j-1];
                     temp2 = alpha * x[j-1];
                     for(i=1;i<=j;i++)
@@ -63,7 +63,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
             /* non-unit increments */
             for(j=1;j<=n;j++) {
                 
-                if( fabs(x[jx-1])>GMX_FLOAT_MIN || fabs(y[jy-1])>GMX_FLOAT_MIN ) {
+                if( std::abs(x[jx-1])>GMX_FLOAT_MIN || std::abs(y[jy-1])>GMX_FLOAT_MIN ) {
                     temp1 = alpha * y[jy-1];
                     temp2 = alpha * x[jx-1];
                     ix = kx;
@@ -83,7 +83,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
         if(incx==1 && incy==1) {
             /* Unit increments for both x and y */
             for(j=1;j<=n;j++) {
-                if( fabs(x[j-1])>GMX_FLOAT_MIN  || fabs(y[j-1])>GMX_FLOAT_MIN ) {
+                if( std::abs(x[j-1])>GMX_FLOAT_MIN  || std::abs(y[j-1])>GMX_FLOAT_MIN ) {
                     temp1 = alpha * y[j-1];
                     temp2 = alpha * x[j-1];
                     for(i=j;i<=n;i++)
@@ -95,7 +95,7 @@ F77_FUNC(ssyr2,SSYR2)(const char *    uplo,
             /* non-unit increments */
             for(j=1;j<=n;j++) {
                 
-                if( fabs(x[jx-1])>GMX_FLOAT_MIN || fabs(y[jy-1])>GMX_FLOAT_MIN ) {
+                if( std::abs(x[jx-1])>GMX_FLOAT_MIN || std::abs(y[jy-1])>GMX_FLOAT_MIN ) {
                     temp1 = alpha * y[jy-1];
                     temp2 = alpha * x[jx-1];
                     ix = jx;
diff --git a/src/gromacs/linearalgebra/gmx_blas/ssyr2k.c b/src/gromacs/linearalgebra/gmx_blas/ssyr2k.cpp
similarity index 78%
rename from src/gromacs/linearalgebra/gmx_blas/ssyr2k.c
rename to src/gromacs/linearalgebra/gmx_blas/ssyr2k.cpp
index 335206c72b..9f57adf417 100644
--- a/src/gromacs/linearalgebra/gmx_blas/ssyr2k.c
+++ b/src/gromacs/linearalgebra/gmx_blas/ssyr2k.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -19,7 +19,6 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
                         int *ldc__)
 {
   char ch1,ch2;
-  int nrowa;
   int i,j,l;
   float temp1,temp2;
 
@@ -32,20 +31,15 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
   float alpha = *alpha__;
   float beta  = *beta__;
   
-  ch1 = toupper(*uplo);
-  ch2 = toupper(*trans);
+  ch1 = std::toupper(*uplo);
+  ch2 = std::toupper(*trans);
 
-  if(ch2 == 'N')
-    nrowa = n;
-  else
-    nrowa = k;
-
-  if(n==0 || ( ( fabs(alpha)<GMX_FLOAT_MIN || k==0 ) && fabs(beta-1.0)<GMX_FLOAT_EPS))
+  if(n==0 || ( ( std::abs(alpha)<GMX_FLOAT_MIN || k==0 ) && std::abs(beta-1.0)<GMX_FLOAT_EPS))
     return;
 
-  if(fabs(alpha)<GMX_FLOAT_MIN) {
+  if(std::abs(alpha)<GMX_FLOAT_MIN) {
     if(ch1=='U') {
-      if(fabs(beta)<GMX_FLOAT_MIN) 
+      if(std::abs(beta)<GMX_FLOAT_MIN) 
 	for(j=1;j<=n;j++) 
 	  for(i=1;i<=j;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
@@ -55,7 +49,7 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
     } else {
       /* lower */
-      if(fabs(beta)<GMX_FLOAT_MIN) 
+      if(std::abs(beta)<GMX_FLOAT_MIN) 
 	for(j=1;j<=n;j++) 
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
@@ -70,15 +64,15 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
   if(ch2=='N') {
     if(ch1=='U') {
       for(j=1;j<=n;j++) {
-	if(fabs(beta)<GMX_FLOAT_MIN)
+	if(std::abs(beta)<GMX_FLOAT_MIN)
 	  for(i=1;i<=j;i++)
 	     c[(j-1)*(ldc)+(i-1)] = 0.0;
-	else if(fabs(beta-1.0)>GMX_FLOAT_EPS)
+	else if(std::abs(beta-1.0)>GMX_FLOAT_EPS)
 	  for(i=1;i<=j;i++)
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
 	for(l=1;l<=k;l++) {
-	  if( fabs(a[(l-1)*(lda)+(j-1)])>GMX_FLOAT_MIN ||
-	      fabs(b[(l-1)*(ldb)+(j-1)])>GMX_FLOAT_MIN) {
+	  if( std::abs(a[(l-1)*(lda)+(j-1)])>GMX_FLOAT_MIN ||
+	      std::abs(b[(l-1)*(ldb)+(j-1)])>GMX_FLOAT_MIN) {
 	    temp1 = alpha * b[(l-1)*(ldb)+(j-1)];
 	    temp2 = alpha * a[(l-1)*(lda)+(j-1)];
 	    for(i=1;i<=j;i++)
@@ -91,15 +85,15 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
     } else {
       /* lower */
       for(j=1;j<=n;j++) {
-	if(fabs(beta)<GMX_FLOAT_MIN)
+	if(std::abs(beta)<GMX_FLOAT_MIN)
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] = 0.0;
-	else if(fabs(beta-1.0)>GMX_FLOAT_EPS)
+	else if(std::abs(beta-1.0)>GMX_FLOAT_EPS)
 	  for(i=j;i<=n;i++)
 	    c[(j-1)*(ldc)+(i-1)] *= beta;
 	for(l=1;l<=k;l++) {
-	  if( fabs(a[(l-1)*(lda)+(j-1)])>GMX_FLOAT_MIN ||
-	      fabs(b[(l-1)*(ldb)+(j-1)])>GMX_FLOAT_MIN) {
+	  if( std::abs(a[(l-1)*(lda)+(j-1)])>GMX_FLOAT_MIN ||
+	      std::abs(b[(l-1)*(ldb)+(j-1)])>GMX_FLOAT_MIN) {
 	    temp1 = alpha * b[(l-1)*(ldb)+(j-1)];
 	    temp2 = alpha * a[(l-1)*(lda)+(j-1)];
 	    for(i=j;i<=n;i++)
@@ -121,7 +115,7 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
 	     temp1 += a[(i-1)*(lda)+(l-1)] * b[(j-1)*(ldb)+(l-1)];
 	     temp2 += b[(i-1)*(ldb)+(l-1)] * a[(j-1)*(lda)+(l-1)];
 	  }
-	  if(fabs(beta)<GMX_FLOAT_MIN)
+	  if(std::abs(beta)<GMX_FLOAT_MIN)
 	    c[(j-1)*(ldc)+(i-1)] = alpha * (temp1 + temp2);
 	  else
 	    c[(j-1)*(ldc)+(i-1)] = beta * c[(j-1)*(ldc)+(i-1)] +
@@ -137,7 +131,7 @@ F77_FUNC(ssyr2k,SSYR2K)(const char *uplo,
 	     temp1 += a[(i-1)*(lda)+(l-1)] * b[(j-1)*(ldb)+(l-1)];
 	     temp2 += b[(i-1)*(ldb)+(l-1)] * a[(j-1)*(lda)+(l-1)];
 	  }
-	  if(fabs(beta)<GMX_FLOAT_MIN)
+	  if(std::abs(beta)<GMX_FLOAT_MIN)
 	    c[(j-1)*(ldc)+(i-1)] = alpha * (temp1 + temp2);
 	  else
 	    c[(j-1)*(ldc)+(i-1)] = beta * c[(j-1)*(ldc)+(i-1)] +
diff --git a/src/gromacs/linearalgebra/gmx_blas/strmm.c b/src/gromacs/linearalgebra/gmx_blas/strmm.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_blas/strmm.c
rename to src/gromacs/linearalgebra/gmx_blas/strmm.cpp
index 7fd95a5489..78922f44cc 100644
--- a/src/gromacs/linearalgebra/gmx_blas/strmm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/strmm.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -25,10 +25,9 @@ F77_FUNC(strmm,STRMM)(const char *side,
     float alpha = *alpha__;
     
     /* Local variables */
-    int i__, j, k, info;
+    int i__, j, k;
     float temp;
     int lside;
-    int nrowa;
     int upper;
     int nounit;
     a_dim1 = lda;
@@ -40,20 +39,14 @@ F77_FUNC(strmm,STRMM)(const char *side,
 
     /* Function Body */
     lside = (*side=='L' || *side=='l');
-    if (lside) {
-	nrowa = m;
-    } else {
-	nrowa = n;
-    }
+
     nounit = (*diag=='N' || *diag=='n');
     upper = (*uplo=='U' || *uplo=='u');
 
-    info = 0;
-
     if (n == 0) {
 	return;
     }
-    if (fabs(alpha)<GMX_FLOAT_MIN) {
+    if (std::abs(alpha)<GMX_FLOAT_MIN) {
 	i__1 = n;
 	for (j = 1; j <= i__1; ++j) {
 	    i__2 = m;
@@ -70,7 +63,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    i__2 = m;
 		    for (k = 1; k <= i__2; ++k) {
-			if ( fabs(b[k + j * b_dim1])>GMX_FLOAT_MIN) {
+			if ( std::abs(b[k + j * b_dim1])>GMX_FLOAT_MIN) {
 			    temp = alpha * b[k + j * b_dim1];
 			    i__3 = k - 1;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -88,7 +81,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
 		    for (k = m; k >= 1; --k) {
-			if (fabs(b[k + j * b_dim1])>GMX_FLOAT_MIN) {
+			if (std::abs(b[k + j * b_dim1])>GMX_FLOAT_MIN) {
 			    temp = alpha * b[k + j * b_dim1];
 			    b[k + j * b_dim1] = temp;
 			    if (nounit) {
@@ -153,7 +146,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		    }
 		    i__1 = j - 1;
 		    for (k = 1; k <= i__1; ++k) {
-			if ( fabs(a[k + j * a_dim1])>GMX_FLOAT_MIN) {
+			if ( std::abs(a[k + j * a_dim1])>GMX_FLOAT_MIN) {
 			    temp = alpha * a[k + j * a_dim1];
 			    i__2 = m;
 			    for (i__ = 1; i__ <= i__2; ++i__) {
@@ -176,7 +169,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		    }
 		    i__2 = n;
 		    for (k = j + 1; k <= i__2; ++k) {
-			if ( fabs(a[k + j * a_dim1])>GMX_FLOAT_MIN) {
+			if ( std::abs(a[k + j * a_dim1])>GMX_FLOAT_MIN) {
 			    temp = alpha * a[k + j * a_dim1];
 			    i__3 = m;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -194,7 +187,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		for (k = 1; k <= i__1; ++k) {
 		    i__2 = k - 1;
 		    for (j = 1; j <= i__2; ++j) {
-			if ( fabs(a[j + k * a_dim1])>GMX_FLOAT_MIN ) {
+			if ( std::abs(a[j + k * a_dim1])>GMX_FLOAT_MIN ) {
 			    temp = alpha * a[j + k * a_dim1];
 			    i__3 = m;
 			    for (i__ = 1; i__ <= i__3; ++i__) {
@@ -207,7 +200,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		    if (nounit) {
 			temp *= a[k + k * a_dim1];
 		    }
-		    if ( fabs(temp-1.0)>GMX_FLOAT_EPS) {
+		    if ( std::abs(temp-1.0)>GMX_FLOAT_EPS) {
 			i__2 = m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    b[i__ + k * b_dim1] = temp * b[i__ + k * b_dim1];
@@ -218,7 +211,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		for (k = n; k >= 1; --k) {
 		    i__1 = n;
 		    for (j = k + 1; j <= i__1; ++j) {
-			if ( fabs(a[j + k * a_dim1])>GMX_FLOAT_MIN) {
+			if ( std::abs(a[j + k * a_dim1])>GMX_FLOAT_MIN) {
 			    temp = alpha * a[j + k * a_dim1];
 			    i__2 = m;
 			    for (i__ = 1; i__ <= i__2; ++i__) {
@@ -231,7 +224,7 @@ F77_FUNC(strmm,STRMM)(const char *side,
 		    if (nounit) {
 			temp *= a[k + k * a_dim1];
 		    }
-		    if ( fabs(temp-1.0)>GMX_FLOAT_EPS) {
+		    if ( std::abs(temp-1.0)>GMX_FLOAT_EPS) {
 			i__1 = m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    b[i__ + k * b_dim1] = temp * b[i__ + k * b_dim1];
diff --git a/src/gromacs/linearalgebra/gmx_blas/strmv.c b/src/gromacs/linearalgebra/gmx_blas/strmv.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_blas/strmv.c
rename to src/gromacs/linearalgebra/gmx_blas/strmv.cpp
index 41b661c67b..57a0121f3f 100644
--- a/src/gromacs/linearalgebra/gmx_blas/strmv.c
+++ b/src/gromacs/linearalgebra/gmx_blas/strmv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -15,7 +15,7 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
 {
     int a_dim1, a_offset, i__1, i__2;
 
-    int i__, j, ix, jx, kx, info;
+    int i__, j, ix, jx, kx;
     float temp;
     int nounit;
     
@@ -28,8 +28,6 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
     a -= a_offset;
     --x;
 
-    info = 0;
-
     if (n == 0) {
 	return;
     }
@@ -48,7 +46,7 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
 	    if (incx == 1) {
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
-		    if (fabs(x[j])>GMX_FLOAT_MIN) {
+		    if (std::abs(x[j])>GMX_FLOAT_MIN) {
 			temp = x[j];
 			i__2 = j - 1;
 			for (i__ = 1; i__ <= i__2; ++i__) {
@@ -63,7 +61,7 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
 		jx = kx;
 		i__1 = n;
 		for (j = 1; j <= i__1; ++j) {
-		    if (fabs(x[jx])>GMX_FLOAT_MIN) {
+		    if (std::abs(x[jx])>GMX_FLOAT_MIN) {
 			temp = x[jx];
 			ix = kx;
 			i__2 = j - 1;
@@ -81,7 +79,7 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
 	} else {
 	    if (incx == 1) {
 		for (j = n; j >= 1; --j) {
-		    if (fabs(x[j])>GMX_FLOAT_MIN) {
+		    if (std::abs(x[j])>GMX_FLOAT_MIN) {
 			temp = x[j];
 			i__1 = j + 1;
 			for (i__ = n; i__ >= i__1; --i__) {
@@ -96,7 +94,7 @@ F77_FUNC(strmv,STRMV)(const char *uplo,
 		kx += (n - 1) * incx;
 		jx = kx;
 		for (j = n; j >= 1; --j) {
-		    if (fabs(x[jx])>GMX_FLOAT_MIN) {
+		    if (std::abs(x[jx])>GMX_FLOAT_MIN) {
 			temp = x[jx];
 			ix = kx;
 			i__1 = j + 1;
diff --git a/src/gromacs/linearalgebra/gmx_blas/strsm.c b/src/gromacs/linearalgebra/gmx_blas/strsm.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_blas/strsm.c
rename to src/gromacs/linearalgebra/gmx_blas/strsm.cpp
index 61aaaaba06..a66649e3f2 100644
--- a/src/gromacs/linearalgebra/gmx_blas/strsm.c
+++ b/src/gromacs/linearalgebra/gmx_blas/strsm.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_blas.h"
@@ -17,10 +17,10 @@ F77_FUNC(strsm,STRSM)(const char * side,
                       float *b,
                       int *  ldb__)
 {
-  const char xside  = toupper(*side);
-  const char xuplo  = toupper(*uplo);
-  const char xtrans = toupper(*transa);
-  const char xdiag  = toupper(*diag);
+  const char xside  = std::toupper(*side);
+  const char xuplo  = std::toupper(*uplo);
+  const char xtrans = std::toupper(*transa);
+  const char xdiag  = std::toupper(*diag);
   int i,j,k;
   float temp;
 
@@ -34,7 +34,7 @@ F77_FUNC(strsm,STRSM)(const char * side,
     return;
 
   
-  if(fabs(alpha)<GMX_FLOAT_MIN) { 
+  if(std::abs(alpha)<GMX_FLOAT_MIN) { 
     for(j=0;j<n;j++)
       for(i=0;i<m;i++)
 	b[j*(ldb)+i] = 0.0;
@@ -48,12 +48,12 @@ F77_FUNC(strsm,STRSM)(const char * side,
       if(xuplo=='U') {
 	/* upper */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS) {
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS) {
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  }
 	  for(k=m-1;k>=0;k--) {
-	    if( fabs(b[j*(ldb)+k])>GMX_FLOAT_MIN) {
+	    if( std::abs(b[j*(ldb)+k])>GMX_FLOAT_MIN) {
 	      if(xdiag=='N')
 		b[j*(ldb)+k] /= a[k*(lda)+k];
 	      for(i=0;i<k;i++)
@@ -64,11 +64,11 @@ F77_FUNC(strsm,STRSM)(const char * side,
       } else {
 	/* lower */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS)
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=0;k<m;k++) {
-	    if( fabs(b[j*(ldb)+k])>GMX_FLOAT_MIN) {
+	    if( std::abs(b[j*(ldb)+k])>GMX_FLOAT_MIN) {
 	      if(xdiag=='N')
 		b[j*(ldb)+k] /= a[k*(lda)+k];
 	      for(i=k+1;i<m;i++)
@@ -112,11 +112,11 @@ F77_FUNC(strsm,STRSM)(const char * side,
       if(xuplo=='U') {
 	/* upper */
 	for(j=0;j<n;j++) {
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS)
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=0;k<j;k++) {
-	    if( fabs(a[j*(lda)+k])>GMX_FLOAT_MIN) {
+	    if( std::abs(a[j*(lda)+k])>GMX_FLOAT_MIN) {
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= a[j*(lda)+k]*b[k*(ldb)+i];
 	    }
@@ -130,11 +130,11 @@ F77_FUNC(strsm,STRSM)(const char * side,
       } else {
 	/* lower */
 	for(j=n-1;j>=0;j--) {
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS)
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS)
 	    for(i=0;i<m;i++)
 	      b[j*(ldb)+i] *= alpha;
 	  for(k=j+1;k<n;k++) {
-	    if( fabs(a[j*(lda)+k])>GMX_FLOAT_MIN ) {
+	    if( std::abs(a[j*(lda)+k])>GMX_FLOAT_MIN ) {
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= a[j*(lda)+k]*b[k*(ldb)+i];
 	    }
@@ -157,13 +157,13 @@ F77_FUNC(strsm,STRSM)(const char * side,
 	      b[k*(ldb)+i] *= temp;
 	  }
 	  for(j=0;j<k;j++) {
-	    if( fabs(a[k*(lda)+j])>GMX_FLOAT_MIN) {
+	    if( std::abs(a[k*(lda)+j])>GMX_FLOAT_MIN) {
 	      temp = a[k*(lda)+j];
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= temp * b[k*(ldb)+i];
 	    }
 	  }
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS)
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS)
 	    for(i=0;i<m;i++)
 	      b[k*(ldb)+i] *= alpha;
 	}
@@ -176,13 +176,13 @@ F77_FUNC(strsm,STRSM)(const char * side,
 	      b[k*(ldb)+i] *= temp;
 	  }
 	  for(j=k+1;j<n;j++) {
-	    if( fabs(a[k*(lda)+j])>GMX_FLOAT_MIN) {
+	    if( std::abs(a[k*(lda)+j])>GMX_FLOAT_MIN) {
 	      temp = a[k*(lda)+j];
 	      for(i=0;i<m;i++)
 		b[j*(ldb)+i] -= temp * b[k*(ldb)+i];
 	    }
 	  }
-	  if(fabs(alpha-1.0)>GMX_FLOAT_EPS)
+	  if(std::abs(alpha-1.0)>GMX_FLOAT_EPS)
 	    for(i=0;i<m;i++)
 	      b[k*(ldb)+i] *= alpha;
 	}
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dbdsdc.c b/src/gromacs/linearalgebra/gmx_lapack/dbdsdc.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/dbdsdc.c
rename to src/gromacs/linearalgebra/gmx_lapack/dbdsdc.cpp
index c51fca591f..884812d6e9 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dbdsdc.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dbdsdc.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -91,7 +91,7 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
 	  u[u_dim1 + 1] = (d__[1]>0) ? 1.0 : -1.0;
 	  vt[vt_dim1 + 1] = 1.;
 	}
-	d__[1] = fabs(d__[1]);
+	d__[1] = std::abs(d__[1]);
 	return;
     }
     nm1 = *n - 1;
@@ -149,7 +149,7 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
     }
 
     orgnrm = F77_FUNC(dlanst,DLANST)("M", n, &d__[1], &e[1]);
-    if ( fabs(orgnrm)<GMX_DOUBLE_MIN) {
+    if ( std::abs(orgnrm)<GMX_DOUBLE_MIN) {
 	return;
     }
     F77_FUNC(dlascl,DLASCL)("G", &c_0, &c_0, &orgnrm, &one, n, &c_1, &d__[1], n, &ierr);
@@ -157,8 +157,8 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
 
     eps = GMX_DOUBLE_EPS;
 
-    mlvl = (int) (log((double) (*n) / (double) (smlsiz + 1)) / 
-	    log(2.)) + 1;
+    mlvl = (int) (std::log((double) (*n) / (double) (smlsiz + 1)) / 
+		  std::log(2.)) + 1;
     smlszp = smlsiz + 1;
 
     if (icompq == 1) {
@@ -180,7 +180,7 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
 
     i__1 = *n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(d__[i__]) < eps) 
+	if (std::abs(d__[i__]) < eps) 
 	    d__[i__] = (d__[i__]>0) ? eps : -eps;
     }
 
@@ -189,10 +189,10 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
 
     i__1 = nm1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__]) < eps || i__ == nm1) {
+	if (std::abs(e[i__]) < eps || i__ == nm1) {
 	    if (i__ < nm1) {
 		nsize = i__ - start + 1;
-	    } else if (fabs(e[i__]) >= eps) {
+	    } else if (std::abs(e[i__]) >= eps) {
 		nsize = *n - start + 1;
 	    } else {
 		nsize = i__ - start + 1;
@@ -203,7 +203,7 @@ F77_FUNC(dbdsdc,DBDSDC)(const char *uplo,
 		    q[*n + (qstart - 1) * *n] = (d__[*n]>0) ? 1.0 : -1.0; 
 		    q[*n + (smlsiz + qstart - 1) * *n] = 1.;
 		}
-		d__[*n] = fabs(d__[*n]);
+		d__[*n] = std::abs(d__[*n]);
 	    }
 	    if (icompq == 2) {
 		F77_FUNC(dlasd0,DLASD0)(&nsize, &sqre, &d__[start], &e[start], 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dbdsqr.c b/src/gromacs/linearalgebra/gmx_lapack/dbdsqr.cpp
similarity index 86%
rename from src/gromacs/linearalgebra/gmx_lapack/dbdsqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dbdsqr.cpp
index be772eba61..950d9392aa 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dbdsqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dbdsqr.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -23,7 +23,7 @@ F77_FUNC(dbdsqr,DBDSQR)(const char *uplo,
                         double *work,
                         int *info)
 {
-    const char xuplo = toupper(*uplo);
+    const char xuplo = std::toupper(*uplo);
     int c_dim1, c_offset, u_dim1, u_offset, vt_dim1, vt_offset, i__1, 
 	    i__2;
     double r__1, r__2, r__3, r__4;
@@ -56,9 +56,8 @@ F77_FUNC(dbdsqr,DBDSQR)(const char *uplo,
     double sminoa;
     double thresh;
     int rotate;
-    double sminlo, tolmul;
+    double tolmul;
     int itmp1,itmp2;
-    double ftmp;
     
     --d__;
     --e;
@@ -142,43 +141,43 @@ F77_FUNC(dbdsqr,DBDSQR)(const char *uplo,
 	}
     }
 
-    r__3 = 100.f, r__4 = pow(GMX_DOUBLE_EPS,c_b15);
+    r__3 = 100.f, r__4 = std::pow(GMX_DOUBLE_EPS,c_b15);
     r__1 = 10.f, r__2 = (r__3<r__4) ? r__3 : r__4;
     tolmul = (r__1>r__2) ? r__1 : r__2;
     tol = tolmul * eps;
     smax = 0.f;
     i__1 = *n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	r__2 = smax, r__3 = (r__1 = d__[i__], fabs(r__1));
+	r__2 = smax, r__3 = (r__1 = d__[i__], std::abs(r__1));
 	smax = (r__2>r__3) ? r__2 : r__3;
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	r__2 = smax, r__3 = (r__1 = e[i__], fabs(r__1));
+	r__2 = smax, r__3 = (r__1 = e[i__], std::abs(r__1));
 	smax = (r__2>r__3) ? r__2 : r__3;
     }
     sminl = 0.f;
     if (tol >= 0.f) {
-	sminoa = fabs(d__[1]);
+	sminoa = std::abs(d__[1]);
 	if (sminoa == 0.f) {
 	    goto L50;
 	}
 	mu = sminoa;
 	i__1 = *n;
 	for (i__ = 2; i__ <= i__1; ++i__) {
-	    mu = (r__2 = d__[i__], fabs(r__2)) * (mu / (mu + (r__1 = e[i__ - 
-		    1], fabs(r__1))));
+	    mu = (r__2 = d__[i__], std::abs(r__2)) * (mu / (mu + (r__1 = e[i__ - 
+		    1], std::abs(r__1))));
 	    sminoa = (sminoa<mu) ? sminoa : mu;
 	    if (sminoa == 0.f) {
 		goto L50;
 	    }
 	}
 L50:
-	sminoa /= sqrt((double) (*n));
+	sminoa /=  std::sqrt((double) (*n));
 	r__1 = tol * sminoa, r__2 = *n * 6 * *n * unfl;
 	thresh = (r__1>r__2) ? r__1 : r__2;
     } else {
-	r__1 = fabs(tol) * smax, r__2 = *n * 6 * *n * unfl;
+	r__1 = std::abs(tol) * smax, r__2 = *n * 6 * *n * unfl;
 	thresh = (r__1>r__2) ? r__1 : r__2;
     }
     maxit = *n * 6 * *n;
@@ -196,16 +195,16 @@ L60:
 	goto L200;
     }
 
-    if (tol < 0.f && (r__1 = d__[m], fabs(r__1)) <= thresh) {
+    if (tol < 0.f && (r__1 = d__[m], std::abs(r__1)) <= thresh) {
 	d__[m] = 0.f;
     }
-    smax = (r__1 = d__[m], fabs(r__1));
+    smax = (r__1 = d__[m], std::abs(r__1));
     smin = smax;
     i__1 = m - 1;
     for (lll = 1; lll <= i__1; ++lll) {
 	ll = m - lll;
-	abss = (r__1 = d__[ll], fabs(r__1));
-	abse = (r__1 = e[ll], fabs(r__1));
+	abss = (r__1 = d__[ll], std::abs(r__1));
+	abse = (r__1 = e[ll], std::abs(r__1));
 	if (tol < 0.f && abss <= thresh) {
 	    d__[ll] = 0.f;
 	}
@@ -248,7 +247,7 @@ L90:
 	goto L60;
     }
     if (ll > oldm || m < oldll) {
-	if ((r__1 = d__[ll], fabs(r__1)) >= (r__2 = d__[m], fabs(r__2))) {
+	if ((r__1 = d__[ll], std::abs(r__1)) >= (r__2 = d__[m], std::abs(r__2))) {
 	    idir = 1;
 	} else {
 	    idir = 2;
@@ -256,44 +255,42 @@ L90:
     }
     if (idir == 1) {
 
-        if( (fabs(e[m-1]) <= fabs(tol) * fabs(d__[m])) ||
-            (tol<0.0 && fabs(e[m-1])<=thresh)) {
+        if( (std::abs(e[m-1]) <= std::abs(tol) * std::abs(d__[m])) ||
+            (tol<0.0 && std::abs(e[m-1])<=thresh)) {
 	    e[m - 1] = 0.f;
 	    goto L60;
 	}
 	if (tol >= 0.f) {
-	    mu = (r__1 = d__[ll], fabs(r__1));
+	    mu = (r__1 = d__[ll], std::abs(r__1));
 	    sminl = mu;
 	    i__1 = m - 1;
 	    for (lll = ll; lll <= i__1; ++lll) {
-		if ((r__1 = e[lll], fabs(r__1)) <= tol * mu) {
+		if ((r__1 = e[lll], std::abs(r__1)) <= tol * mu) {
 		    e[lll] = 0.f;
 		    goto L60;
 		}
-		sminlo = sminl;
-		mu = (r__2 = d__[lll + 1], fabs(r__2)) * (mu / (mu + (r__1 = 
-			e[lll], fabs(r__1))));
+		mu = (r__2 = d__[lll + 1], std::abs(r__2)) * (mu / (mu + (r__1 = 
+			e[lll], std::abs(r__1))));
 		sminl = (sminl<mu) ? sminl : mu;
 	    }
 	}
     } else {
-        if( (fabs(e[ll]) <= fabs(tol)*fabs(d__[ll])) ||
-            (tol<0.0 && fabs(e[ll])<=thresh)) {
+        if( (std::abs(e[ll]) <= std::abs(tol)*std::abs(d__[ll])) ||
+            (tol<0.0 && std::abs(e[ll])<=thresh)) {
 	    e[ll] = 0.f;
 	    goto L60;
 	}
 	if (tol >= 0.f) {
-	    mu = (r__1 = d__[m], fabs(r__1));
+	    mu = (r__1 = d__[m], std::abs(r__1));
 	    sminl = mu;
 	    i__1 = ll;
 	    for (lll = m - 1; lll >= i__1; --lll) {
-		if ((r__1 = e[lll], fabs(r__1)) <= tol * mu) {
+		if ((r__1 = e[lll], std::abs(r__1)) <= tol * mu) {
 		    e[lll] = 0.f;
 		    goto L60;
 		}
-		sminlo = sminl;
-		mu = (r__2 = d__[lll], fabs(r__2)) * (mu / (mu + (r__1 = e[
-			lll], fabs(r__1))));
+		mu = (r__2 = d__[lll], std::abs(r__2)) * (mu / (mu + (r__1 = e[
+			lll], std::abs(r__1))));
 		sminl = (sminl<mu) ? sminl : mu;
 	    }
 	}
@@ -306,10 +303,10 @@ L90:
 	shift = 0.f;
     } else {
 	if (idir == 1) {
-	    sll = (r__1 = d__[ll], fabs(r__1));
+	    sll = (r__1 = d__[ll], std::abs(r__1));
 	    F77_FUNC(dlas2,DLAS2)(&d__[m - 1], &e[m - 1], &d__[m], &shift, &r__);
 	} else {
-	    sll = (r__1 = d__[m], fabs(r__1));
+	    sll = (r__1 = d__[m], std::abs(r__1));
 	    F77_FUNC(dlas2,DLAS2)(&d__[ll], &e[ll], &d__[ll + 1], &shift, &r__);
 	}
 	if (sll > 0.f) {
@@ -357,7 +354,7 @@ L90:
 		F77_FUNC(dlasr,DLASR)("L", "V", "F", &i__1, ncc, &work[nm12 + 1], &work[nm13 
 			+ 1], &c__[ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[m - 1], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[m - 1], std::abs(r__1)) <= thresh) {
 		e[m - 1] = 0.f;
 	    }
 	} else {
@@ -396,14 +393,14 @@ L90:
 		F77_FUNC(dlasr,DLASR)("L", "V", "B", &i__1, ncc, &work[1], &work[*n], &c__[
 			ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[ll], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[ll], std::abs(r__1)) <= thresh) {
 		e[ll] = 0.f;
 	    }
 	}
     } else {
 
 	if (idir == 1) {
-	    f = ((r__1 = d__[ll], fabs(r__1)) - shift) * ( ((d__[ll] > 0) ? c_b49 : -c_b49) + shift / d__[ll]);
+	    f = ((r__1 = d__[ll], std::abs(r__1)) - shift) * ( ((d__[ll] > 0) ? c_b49 : -c_b49) + shift / d__[ll]);
 	    g = e[ll];
 	    i__1 = m - 1;
 	    for (i__ = ll; i__ <= i__1; ++i__) {
@@ -445,12 +442,12 @@ L90:
 		F77_FUNC(dlasr,DLASR)("L", "V", "F", &i__1, ncc, &work[nm12 + 1], &work[nm13 
 			+ 1], &c__[ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[m - 1], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[m - 1], std::abs(r__1)) <= thresh) {
 		e[m - 1] = 0.f;
 	    }
 	} else {
 
-	    f = ((r__1 = d__[m], fabs(r__1)) - shift) * ( ((d__[m] > 0) ? c_b49 : -c_b49) + shift / d__[m]);
+	    f = ((r__1 = d__[m], std::abs(r__1)) - shift) * ( ((d__[m] > 0) ? c_b49 : -c_b49) + shift / d__[m]);
 	    g = e[m - 1];
 	    i__1 = ll + 1;
 	    for (i__ = m; i__ >= i__1; --i__) {
@@ -477,7 +474,7 @@ L90:
 	    }
 	    e[ll] = f;
 
-	    if ((r__1 = e[ll], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[ll], std::abs(r__1)) <= thresh) {
 		e[ll] = 0.f;
 	    }
 	    if (*ncvt > 0) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgebd2.c b/src/gromacs/linearalgebra/gmx_lapack/dgebd2.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dgebd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgebd2.cpp
index 24e84afb1c..3225a907b8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dgebd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dgebd2.cpp
@@ -50,7 +50,6 @@ F77_FUNC(dgebd2,DGEBD2)(int *m,
     for(i=0;i<*m;i++) {
       i1 = *n - i;
       i2 = ( (i+1) < (*n-1)) ? (i+1) : (*n-1);
-      i3 = 1;
       F77_FUNC(dlarfg,DLARFG)(&i1,&(a[i*(*lda)+i]),&(a[i2*(*lda)+i]),lda,&(taup[i]));
       d[i] = a[i*(*lda)+i];
       a[i*(*lda)+i] = 1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgebrd.c b/src/gromacs/linearalgebra/gmx_lapack/dgebrd.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgebrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgebrd.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgelq2.c b/src/gromacs/linearalgebra/gmx_lapack/dgelq2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgelq2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgelq2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgelqf.c b/src/gromacs/linearalgebra/gmx_lapack/dgelqf.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dgelqf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgelqf.cpp
index f6742f6c9a..6531e5b796 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dgelqf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dgelqf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgeqr2.c b/src/gromacs/linearalgebra/gmx_lapack/dgeqr2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgeqr2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgeqr2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgeqrf.c b/src/gromacs/linearalgebra/gmx_lapack/dgeqrf.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgeqrf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgeqrf.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgesdd.c b/src/gromacs/linearalgebra/gmx_lapack/dgesdd.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/dgesdd.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgesdd.cpp
index b7ab54b67e..8f150bb741 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dgesdd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dgesdd.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -30,14 +30,13 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
     double anrm;
     int idum[1], ierr, itau;
     int minmn, wrkbl, itaup, itauq, mnthr;
-    int wntqa;
     int nwork;
-    int wntqn, wntqo, wntqs;
+    int wntqn;
     int bdspac;
     double bignum;
-    int minwrk, ldwrku, maxwrk, ldwkvt;
+    int ldwrku, maxwrk, ldwkvt;
     double smlnum,minval, safemin;
-    int wntqas, lquery;
+    int lquery;
     int c__0 = 0;
     int c__1 = 1;
     double zero = 0.0;
@@ -60,13 +59,8 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
     *info = 0;
     minmn = (*m < *n) ? *m : *n;
     mnthr = (int) (minmn * 11. / 6.);
-    wntqa  = (*jobz=='a' || *jobz=='A');
-    wntqs  = (*jobz=='s' || *jobz=='S');
-    wntqas = wntqa || wntqs;
     wntqn = (*jobz=='o' || *jobz=='O');
-    wntqo = (*jobz=='n' || *jobz=='N');
 
-    minwrk = 1;
     maxwrk = 1;
     lquery = *lwork == -1;
 
@@ -84,7 +78,6 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
 		    wrkbl = *n * 67;
 		    i__1 = wrkbl, i__2 = bdspac + *n;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = bdspac + *n;
 		} else {
 
 		    wrkbl = *n * 67;
@@ -93,7 +86,6 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
 		    i__1 = wrkbl, i__2 = bdspac + *n * 3;
 		    wrkbl = (i__1 > i__2) ? i__1 : i__2;
 		    maxwrk = wrkbl + *n * *n;
-		    minwrk = bdspac + *n * *n + *n * 3;
 		}
 	    } else {
 
@@ -101,11 +93,9 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
 		if (wntqn) {
 		    i__1 = wrkbl, i__2 = bdspac + *n * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *n * 3 + ((*m > bdspac) ? *m : bdspac);
 		} else {
 		    i__1 = maxwrk, i__2 = bdspac + *n * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *n * 3 + ((*m > bdspac) ? *m : bdspac);
 		}
 	    }
 	} else {
@@ -121,7 +111,6 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
 		    wrkbl = *m * 67;
 		    i__1 = wrkbl, i__2 = bdspac + *m;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = bdspac + *m;
 		} else {
 
 		    wrkbl = *m * 67;
@@ -131,18 +120,15 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    wrkbl = (i__1 > i__2) ? i__1 : i__2;
 		    maxwrk = wrkbl + *m * *m;
-		    minwrk = bdspac + *m * *m + *m * 3;
 		}
 	    } else {
 		wrkbl = *m * 3 + (*m + *n*32);
 		if (wntqn) {
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *m * 3 + ((*m > bdspac) ? *m : bdspac);
 		} else {
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *m * 3 + ((*m > bdspac) ? *m : bdspac);
 		}
 	    }
 	}
@@ -165,7 +151,7 @@ F77_FUNC(dgesdd,DGESDD)(const char *jobz,
     eps = GMX_DOUBLE_EPS;
     minval = GMX_DOUBLE_MIN;
     safemin = minval / eps;
-    smlnum = sqrt(safemin) / eps;
+    smlnum =  std::sqrt(safemin) / eps;
 
 
     bignum = 1. / smlnum;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgetf2.c b/src/gromacs/linearalgebra/gmx_lapack/dgetf2.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/dgetf2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgetf2.cpp
index c4b9ee401a..b0549a6511 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dgetf2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dgetf2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -14,10 +14,9 @@ F77_FUNC(dgetf2,DGETF2)(int *m,
 	int *info)
 {
   int j,jp,k,t1,t2,t3;
-  double one,minusone;
+  double minusone;
   double tmp;
 
-  one = 1.0;
   minusone = -1.0;
 
   if(*m<=0 || *n<=0)
@@ -29,7 +28,7 @@ F77_FUNC(dgetf2,DGETF2)(int *m,
     t2 = 1;
     jp = j - 1 + F77_FUNC(idamax,IDAMAX)(&t1,&(a[(j-1)*(*lda)+(j-1)]),&t2);
     ipiv[j-1] = jp;
-    if( fabs(a[(j-1)*(*lda)+(jp-1)])>GMX_DOUBLE_MIN ) {
+    if( std::abs(a[(j-1)*(*lda)+(jp-1)])>GMX_DOUBLE_MIN ) {
       if(jp != j)
 	F77_FUNC(dswap,DSWAP)(n,&(a[ j-1 ]),lda,&(a[ jp-1 ]),lda);
       
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgetrf.c b/src/gromacs/linearalgebra/gmx_lapack/dgetrf.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgetrf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgetrf.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgetri.c b/src/gromacs/linearalgebra/gmx_lapack/dgetri.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgetri.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgetri.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dgetrs.c b/src/gromacs/linearalgebra/gmx_lapack/dgetrs.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dgetrs.c
rename to src/gromacs/linearalgebra/gmx_lapack/dgetrs.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlabrd.c b/src/gromacs/linearalgebra/gmx_lapack/dlabrd.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlabrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlabrd.cpp
index 606b9d7a64..dc4d7683b5 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlabrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlabrd.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlacpy.c b/src/gromacs/linearalgebra/gmx_lapack/dlacpy.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_lapack/dlacpy.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlacpy.cpp
index 29caf32c29..8da6f6bd62 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlacpy.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlacpy.cpp
@@ -1,4 +1,4 @@
-#include<ctype.h>
+#include <cctype>
 #include "../gmx_lapack.h"
 
 /* LAPACK */
@@ -12,7 +12,7 @@ F77_FUNC(dlacpy,DLACPY)(const char *uplo,
 	int *ldb)
 {
   int i,j,minjm;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   if(ch=='U') {
     for(j=0;j<*n;j++) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlae2.c b/src/gromacs/linearalgebra/gmx_lapack/dlae2.cpp
similarity index 76%
rename from src/gromacs/linearalgebra/gmx_lapack/dlae2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlae2.cpp
index 00e57f5597..df6fb3e3da 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlae2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlae2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 
@@ -15,10 +15,10 @@ F77_FUNC(dlae2,DLAE2)(double *a,
 
     sm = *a + *c__;
     df = *a - *c__;
-    adf = fabs(df);
+    adf = std::abs(df);
     tb = *b + *b;
-    ab = fabs(tb);
-    if (fabs(*a) > fabs(*c__)) {
+    ab = std::abs(tb);
+    if (std::abs(*a) > std::abs(*c__)) {
 	acmx = *a;
 	acmn = *c__;
     } else {
@@ -27,13 +27,13 @@ F77_FUNC(dlae2,DLAE2)(double *a,
     }
     if (adf > ab) {
 	d__1 = ab / adf;
-	rt = adf * sqrt(d__1 * d__1 + 1.);
+	rt = adf *  std::sqrt(d__1 * d__1 + 1.);
     } else if (adf < ab) {
 	d__1 = adf / ab;
-	rt = ab * sqrt(d__1 * d__1 + 1.);
+	rt = ab *  std::sqrt(d__1 * d__1 + 1.);
     } else {
 
-	rt = ab * sqrt(2.);
+	rt = ab *  std::sqrt(2.);
     }
     if (sm < 0.) {
 	*rt1 = (sm - rt) * .5;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaebz.c b/src/gromacs/linearalgebra/gmx_lapack/dlaebz.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaebz.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaebz.cpp
index b141d09c17..c9485eb3e6 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlaebz.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlaebz.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -59,7 +59,7 @@ F77_FUNC(dlaebz,DLAEBZ)(int *ijob,
 	for (ji = 1; ji <= i__1; ++ji) {
 	    for (jp = 1; jp <= 2; ++jp) {
 		tmp1 = d__[1] - ab[ji + jp * ab_dim1];
-		if (fabs(tmp1) < *pivmin) {
+		if (std::abs(tmp1) < *pivmin) {
 		    tmp1 = -(*pivmin);
 		}
 		nab[ji + jp * nab_dim1] = 0;
@@ -70,7 +70,7 @@ F77_FUNC(dlaebz,DLAEBZ)(int *ijob,
 		i__2 = *n;
 		for (j = 2; j <= i__2; ++j) {
 		    tmp1 = d__[j] - e2[j - 1] / tmp1 - ab[ji + jp * ab_dim1];
-		    if (fabs(tmp1) < *pivmin) {
+		    if (std::abs(tmp1) < *pivmin) {
 			tmp1 = -(*pivmin);
 		    }
 		    if (tmp1 <= 0.) {
@@ -247,9 +247,9 @@ F77_FUNC(dlaebz,DLAEBZ)(int *ijob,
 	kfnew = kf;
 	i__2 = kl;
 	for (ji = kf; ji <= i__2; ++ji) {
-	    tmp1 = fabs(ab[ji + (ab_dim1 << 1)] - ab[ji + ab_dim1]);
-	    d__3 = fabs(ab[ji + (ab_dim1 << 1)]);
-	    d__4 = fabs(ab[ji + ab_dim1]);
+	    tmp1 = std::abs(ab[ji + (ab_dim1 << 1)] - ab[ji + ab_dim1]);
+	    d__3 = std::abs(ab[ji + (ab_dim1 << 1)]);
+	    d__4 = std::abs(ab[ji + ab_dim1]);
 	    tmp2 = (d__3>d__4) ? d__3 : d__4;
 	    d__1 = (*abstol>*pivmin) ? *abstol : *pivmin;
 	    d__2 = *reltol * tmp2;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaed6.c b/src/gromacs/linearalgebra/gmx_lapack/dlaed6.cpp
similarity index 78%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaed6.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaed6.cpp
index 8753f4d062..80baf78639 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlaed6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlaed6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "../gmx_lapack.h"
 
@@ -48,7 +48,7 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
 	    a = c__ * (d__[1] + d__[2]) + z__[1] + z__[2];
 	    b = c__ * d__[1] * d__[2] + z__[1] * d__[2] + z__[2] * d__[1];
 	}
-        r__1 = fabs(a), r__2 = fabs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = fabs(c__);
+        r__1 = std::abs(a), r__2 = std::abs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = std::abs(c__);
         temp = (r__1>r__2) ? r__1 : r__2;
 	a /= temp;
 	b /= temp;
@@ -56,15 +56,15 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
 	if (c__ == 0.f) {
 	    *tau = b / a;
 	} else if (a <= 0.f) {
-	    *tau = (a - sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1)))) / (
+	    *tau = (a -  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1)))) / (
 		    c__ * 2.f);
 	} else {
-	    *tau = b * 2.f / (a + sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1))));
+	    *tau = b * 2.f / (a +  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1))));
 	}
 
 	temp = *rho + z__[1] / (d__[1] - *tau) + z__[2] / (d__[2] - *tau) + 
 		z__[3] / (d__[3] - *tau);
-	if (fabs(*finit) <= fabs(temp)) {
+	if (std::abs(*finit) <= std::abs(temp)) {
 	    *tau = 0.f;
 	}
     }
@@ -72,19 +72,19 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
     eps = GMX_DOUBLE_EPS;
     base = 2;
     safemin = GMX_DOUBLE_MIN*(1.0+GMX_DOUBLE_EPS);
-    i__1 = (int) (log(safemin) / log(base) / 3.f);
-    small1 = pow(base, i__1);
+    i__1 = static_cast<int>(std::log(safemin) / std::log(base) / 3.f);
+    small1 = std::pow(base, static_cast<double>(i__1));
     sminv1 = 1.f / small1;
     small2 = small1 * small1;
     sminv2 = sminv1 * sminv1;
 
     if (*orgati) {
-	r__3 = (r__1 = d__[2] - *tau, fabs(r__1)), r__4 = (r__2 = d__[3] - *
-		tau, fabs(r__2));
+	r__3 = (r__1 = d__[2] - *tau, std::abs(r__1)), r__4 = (r__2 = d__[3] - *
+		tau, std::abs(r__2));
         temp = (r__3<r__4) ? r__3 : r__4;
     } else {
-	r__3 = (r__1 = d__[1] - *tau, fabs(r__1)), r__4 = (r__2 = d__[2] - *
-		tau, fabs(r__2));
+	r__3 = (r__1 = d__[1] - *tau, std::abs(r__1)), r__4 = (r__2 = d__[2] - *
+		tau, std::abs(r__2));
 	temp = (r__3<r__4) ? r__3 : r__4;
     }
     scale = 0;
@@ -127,7 +127,7 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
     }
     f = *finit + *tau * fc;
 
-    if (fabs(f) <= 0.f) {
+    if (std::abs(f) <= 0.f) {
 	goto L60;
     }
     iter = niter + 1;
@@ -142,7 +142,7 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
 	a = (temp1 + temp2) * f - temp1 * temp2 * df;
 	b = temp1 * temp2 * f;
 	c__ = f - (temp1 + temp2) * df + temp1 * temp2 * ddf;
-	r__1 = fabs(a), r__2 = fabs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = fabs(c__);
+	r__1 = std::abs(a), r__2 = std::abs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = std::abs(c__);
 	temp = (r__1>r__2) ? r__1 : r__2;
 	a /= temp;
 	b /= temp;
@@ -150,9 +150,9 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
 	if (c__ == 0.f) {
 	    eta = b / a;
 	} else if (a <= 0.f) {
-	    eta = (a - sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1)))) / ( c__ * 2.f);
+	    eta = (a -  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1)))) / ( c__ * 2.f);
 	} else {
-	    eta = b * 2.f / (a + sqrt((r__1 = a * a - b * 4.f * c__, fabs( r__1))));
+	    eta = b * 2.f / (a +  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs( r__1))));
 	}
 	if (f * eta >= 0.f) {
 	    eta = -f / df;
@@ -186,13 +186,13 @@ F77_FUNC(dlaed6,DLAED6)(int *kniter,
 	    temp3 = temp2 * temp;
 	    temp4 = temp1 / dscale[i__ - 1];
 	    fc += temp4;
-	    erretm += fabs(temp4);
+	    erretm += std::abs(temp4);
 	    df += temp2;
 	    ddf += temp3;
 	}
 	f = *finit + *tau * fc;
-	erretm = (fabs(*finit) + fabs(*tau) * erretm) * 8.f + fabs(*tau) * df;
-	if (fabs(f) <= eps * erretm) {
+	erretm = (std::abs(*finit) + std::abs(*tau) * erretm) * 8.f + std::abs(*tau) * df;
+	if (std::abs(f) <= eps * erretm) {
 	    goto L60;
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaev2.c b/src/gromacs/linearalgebra/gmx_lapack/dlaev2.cpp
similarity index 76%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaev2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaev2.cpp
index 56e0c9b98b..c1f5a8f62e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlaev2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlaev2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -21,10 +21,10 @@ F77_FUNC(dlaev2,DLAEV2)(double *   a,
 
     sm = *a + *c__;
     df = *a - *c__;
-    adf = fabs(df);
+    adf = std::abs(df);
     tb = *b + *b;
-    ab = fabs(tb);
-    if (fabs(*a) > fabs(*c__)) {
+    ab = std::abs(tb);
+    if (std::abs(*a) > std::abs(*c__)) {
 	acmx = *a;
 	acmn = *c__;
     } else {
@@ -33,13 +33,13 @@ F77_FUNC(dlaev2,DLAEV2)(double *   a,
     }
     if (adf > ab) {
 	d__1 = ab / adf;
-	rt = adf * sqrt(d__1 * d__1 + 1.);
+	rt = adf *  std::sqrt(d__1 * d__1 + 1.);
     } else if (adf < ab) {
 	d__1 = adf / ab;
-	rt = ab * sqrt(d__1 * d__1 + 1.);
+	rt = ab *  std::sqrt(d__1 * d__1 + 1.);
     } else {
 
-	rt = ab * sqrt(2.);
+	rt = ab *  std::sqrt(2.);
     }
     if (sm < 0.) {
 	*rt1 = (sm - rt) * .5;
@@ -62,18 +62,18 @@ F77_FUNC(dlaev2,DLAEV2)(double *   a,
 	cs = df - rt;
 	sgn2 = -1;
     }
-    acs = fabs(cs);
+    acs = std::abs(cs);
     if (acs > ab) {
 	ct = -tb / cs;
-	*sn1 = 1. / sqrt(ct * ct + 1.);
+	*sn1 = 1. /  std::sqrt(ct * ct + 1.);
 	*cs1 = ct * *sn1;
     } else {
-	if (fabs(ab)<GMX_DOUBLE_MIN) {
+	if (std::abs(ab)<GMX_DOUBLE_MIN) {
 	    *cs1 = 1.;
 	    *sn1 = 0.;
 	} else {
 	    tn = -cs / tb;
-	    *cs1 = 1. / sqrt(tn * tn + 1.);
+	    *cs1 = 1. /  std::sqrt(tn * tn + 1.);
 	    *sn1 = tn * *cs1;
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlagtf.c b/src/gromacs/linearalgebra/gmx_lapack/dlagtf.cpp
similarity index 77%
rename from src/gromacs/linearalgebra/gmx_lapack/dlagtf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlagtf.cpp
index 5214cece64..278990aeb4 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlagtf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlagtf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -31,7 +31,6 @@ F77_FUNC(dlagtf,DLAGTF)(int *n,
     *info = 0;
     if (*n < 0) {
 	*info = -1;
-	i__1 = -(*info);
 	return;
     }
 
@@ -41,7 +40,7 @@ F77_FUNC(dlagtf,DLAGTF)(int *n,
     a[1] -= *lambda;
     in[*n] = 0;
     if (*n == 1) {
-	if (fabs(a[1])<GMX_DOUBLE_MIN) {
+	if (std::abs(a[1])<GMX_DOUBLE_MIN) {
 	    in[1] = 1;
 	}
 	return;
@@ -50,20 +49,20 @@ F77_FUNC(dlagtf,DLAGTF)(int *n,
     eps = GMX_DOUBLE_EPS;
 
     tl = (*tol>eps) ? *tol : eps;
-    scale1 = fabs(a[1]) + fabs(b[1]);
+    scale1 = std::abs(a[1]) + std::abs(b[1]);
     i__1 = *n - 1;
     for (k = 1; k <= i__1; ++k) {
 	a[k + 1] -= *lambda;
-	scale2 = fabs(c__[k]) + fabs(a[k + 1]);
+	scale2 = std::abs(c__[k]) + std::abs(a[k + 1]);
 	if (k < *n - 1) {
-	    scale2 += fabs(b[k + 1]);
+	    scale2 += std::abs(b[k + 1]);
 	}
-	if (fabs(a[k])<GMX_DOUBLE_MIN) {
+	if (std::abs(a[k])<GMX_DOUBLE_MIN) {
 	    piv1 = 0.;
 	} else {
-	    piv1 = fabs(a[k]) / scale1;
+	    piv1 = std::abs(a[k]) / scale1;
 	}
-	if (fabs(c__[k])<GMX_DOUBLE_MIN) {
+	if (std::abs(c__[k])<GMX_DOUBLE_MIN) {
 	    in[k] = 0;
 	    piv2 = 0.;
 	    scale1 = scale2;
@@ -71,7 +70,7 @@ F77_FUNC(dlagtf,DLAGTF)(int *n,
 		d__[k] = 0.;
 	    }
 	} else {
-	    piv2 = fabs(c__[k]) / scale2;
+	    piv2 = std::abs(c__[k]) / scale2;
 	    if (piv2 <= piv1) {
 		in[k] = 0;
 		scale1 = scale2;
@@ -98,7 +97,7 @@ F77_FUNC(dlagtf,DLAGTF)(int *n,
 	    in[*n] = k;
 	}
     }
-    if (fabs(a[*n]) <= scale1 * tl && in[*n] == 0) {
+    if (std::abs(a[*n]) <= scale1 * tl && in[*n] == 0) {
 	in[*n] = *n;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlagts.c b/src/gromacs/linearalgebra/gmx_lapack/dlagts.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/dlagts.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlagts.cpp
index 09dad0d76a..fc1a84c11d 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlagts.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlagts.cpp
@@ -1,5 +1,5 @@
 #include <stdlib.h>
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -38,7 +38,6 @@ F77_FUNC(dlagts,DLAGTS)(int *job,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -53,26 +52,26 @@ F77_FUNC(dlagts,DLAGTS)(int *job,
 
     if (*job < 0) {
 	if (*tol <= 0.) {
-	    *tol = fabs(a[1]);
+	    *tol = std::abs(a[1]);
 	    if (*n > 1) {
 		d__1 = *tol;
-		d__2 = fabs(a[2]);
+		d__2 = std::abs(a[2]);
 		d__1 = (d__1>d__2) ? d__1 : d__2;
-		d__2 = fabs(b[1]);
+		d__2 = std::abs(b[1]);
 		*tol = (d__1>d__2) ? d__1 : d__2;
 	    }
 	    i__1 = *n;
 	    for (k = 3; k <= i__1; ++k) {
 	      d__4 = *tol;
-	      d__5 = fabs(a[k]);
+	      d__5 = std::abs(a[k]);
 	      d__4 = (d__4>d__5) ? d__4 : d__5;
-	      d__5 = fabs(b[k - 1]);
+	      d__5 = std::abs(b[k - 1]);
 	      d__4 = (d__4>d__5) ? d__4 : d__5;
-	      d__5 = fabs(d__[k - 2]);
+	      d__5 = std::abs(d__[k - 2]);
 	      *tol = (d__4>d__5) ? d__4 : d__5;
 	    }
 	    *tol *= eps;
-	    if (fabs(*tol)<GMX_DOUBLE_MIN) {
+	    if (std::abs(*tol)<GMX_DOUBLE_MIN) {
 		*tol = eps;
 	    }
 	}
@@ -99,17 +98,17 @@ F77_FUNC(dlagts,DLAGTS)(int *job,
 		    temp = y[k];
 		}
 		ak = a[k];
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_DOUBLE_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_DOUBLE_MIN || std::abs(temp) * sfmin > absak) {
 			    *info = k;
 			    return;
 			} else {
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			*info = k;
 			return;
 		    }
@@ -131,10 +130,10 @@ F77_FUNC(dlagts,DLAGTS)(int *job,
 		if(ak<0)
 		  pert *= -1.0;
 L40:
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_DOUBLE_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_DOUBLE_MIN || std::abs(temp) * sfmin > absak) {
 			    ak += pert;
 			    pert *= 2;
 			    goto L40;
@@ -142,7 +141,7 @@ L40:
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			ak += pert;
 			pert *= 2;
 			goto L40;
@@ -164,17 +163,17 @@ L40:
 		    temp = y[k];
 		}
 		ak = a[k];
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_DOUBLE_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_DOUBLE_MIN || std::abs(temp) * sfmin > absak) {
 			    *info = k;
 			    return;
 			} else {
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			*info = k;
 			return;
 		    }
@@ -198,10 +197,10 @@ L40:
 		  pert *= -1.0;
 
 L70:
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_DOUBLE_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_DOUBLE_MIN || std::abs(temp) * sfmin > absak) {
 			    ak += pert;
 			    pert *= 2;
 			    goto L70;
@@ -209,7 +208,7 @@ L70:
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			ak += pert;
 			pert *= 2;
 			goto L70;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlamrg.c b/src/gromacs/linearalgebra/gmx_lapack/dlamrg.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dlamrg.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlamrg.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlange.c b/src/gromacs/linearalgebra/gmx_lapack/dlange.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/dlange.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlange.cpp
index 2de7c403d2..958747c244 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlange.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlange.cpp
@@ -1,5 +1,5 @@
-#include<math.h>
-#include<ctype.h>
+#include <cctype>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 
@@ -11,7 +11,7 @@ F77_FUNC(dlange,DLANGE)(const char *norm,
 	int *lda,
 	double *work)
 {
-  const char ch=toupper(*norm);
+  const char ch=std::toupper(*norm);
   double dtemp,sum,max,val,scale;
   int i,j;
 
@@ -20,7 +20,7 @@ F77_FUNC(dlange,DLANGE)(const char *norm,
     max = 0.0;
     for(j=0;j<*n;j++)
       for(i=0;i<*m;i++) {
-	dtemp = fabs(a[j*(*lda)+i]);
+	dtemp = std::abs(a[j*(*lda)+i]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -33,7 +33,7 @@ F77_FUNC(dlange,DLANGE)(const char *norm,
     for(j=0;j<*n;j++) {
       sum = 0.0;
       for(i=0;i<*m;i++) 
-	sum += fabs(a[j*(*lda)+i]);
+	sum += std::abs(a[j*(*lda)+i]);
       if(sum>max)
 	max = sum;
     }
@@ -45,7 +45,7 @@ F77_FUNC(dlange,DLANGE)(const char *norm,
       work[i] = 0.0;
     for(j=0;j<*n;j++)
       for(i=0;i<*m;i++)
-	work[i] += fabs(a[j*(*lda)+i]);
+	work[i] += std::abs(a[j*(*lda)+i]);
     max = 0;
     for(i=0;i<*m;i++)
       if(work[i]>max)
@@ -60,7 +60,7 @@ F77_FUNC(dlange,DLANGE)(const char *norm,
     i = 1;
     for(j=0;j<*n;j++) 
       F77_FUNC(dlassq,DLASSQ)(m,&(a[j*(*lda)+0]),&i,&scale,&sum);
-    val = scale*sqrt(sum);
+    val = scale* std::sqrt(sum);
     break;
 
   default:
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlanst.c b/src/gromacs/linearalgebra/gmx_lapack/dlanst.cpp
similarity index 69%
rename from src/gromacs/linearalgebra/gmx_lapack/dlanst.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlanst.cpp
index 924e518c52..b3feb40a64 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlanst.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlanst.cpp
@@ -1,5 +1,5 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 
@@ -9,7 +9,7 @@ F77_FUNC(dlanst,DLANST)(const char *norm,
 	double *d,
 	double *e)
 {
-  const char ch=toupper(*norm);
+  const char ch=std::toupper(*norm);
   double dtemp,max,val,scale,sum;
   int i,j;
 
@@ -19,12 +19,12 @@ F77_FUNC(dlanst,DLANST)(const char *norm,
   
   switch(ch) {
   case 'M':
-    max = fabs(d[*n-1]);
+    max = std::abs(d[*n-1]);
       for(i=0;i<(*n-1);i++) {
-	dtemp = fabs(d[i]);
+	dtemp = std::abs(d[i]);
 	if(dtemp>max)
 	  max = dtemp;
-	dtemp = fabs(e[i]);
+	dtemp = std::abs(e[i]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -36,14 +36,14 @@ F77_FUNC(dlanst,DLANST)(const char *norm,
   case 'I':
 
     if(*n==1)
-      val = fabs(d[0]);
+      val = std::abs(d[0]);
     else {
-      max = fabs(d[0]) + fabs(e[0]);
-      dtemp = fabs(e[*n-2]) + fabs(d[*n-1]);
+      max = std::abs(d[0]) + std::abs(e[0]);
+      dtemp = std::abs(e[*n-2]) + std::abs(d[*n-1]);
       if(dtemp>max)
 	max = dtemp;
       for(i=1;i<(*n-1);i++) {
-	dtemp = fabs(d[i]) + fabs(e[i]) + fabs(e[i-1]);
+	dtemp = std::abs(d[i]) + std::abs(e[i]) + std::abs(e[i-1]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -62,7 +62,7 @@ F77_FUNC(dlanst,DLANST)(const char *norm,
       sum *= 2;
     }
     F77_FUNC(dlassq,DLASSQ)(n,d,&j,&scale,&sum);
-    val = scale * sqrt(sum);
+    val = scale *  std::sqrt(sum);
     break;
     
   default:
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlansy.c b/src/gromacs/linearalgebra/gmx_lapack/dlansy.cpp
similarity index 87%
rename from src/gromacs/linearalgebra/gmx_lapack/dlansy.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlansy.cpp
index 6b9d874b4f..97ea1e2ab6 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlansy.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlansy.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 
 #include "../gmx_lapack.h"
@@ -33,7 +33,7 @@ F77_FUNC(dlansy,DLANSY)(const char *norm, const char *uplo, int *n, double *a, i
 		i__2 = j;
 		for (i__ = 1; i__ <= i__2; ++i__) {
 		  d__2 = value;
-		  d__3 = fabs(a[i__ + j * a_dim1]);
+		  d__3 = std::abs(a[i__ + j * a_dim1]);
 		  value = (d__2>d__3) ? d__2 : d__3;
 		}
 	    }
@@ -43,7 +43,7 @@ F77_FUNC(dlansy,DLANSY)(const char *norm, const char *uplo, int *n, double *a, i
 		i__2 = *n;
 		for (i__ = j; i__ <= i__2; ++i__) {
 		  d__2 = value;
-		  d__3 = fabs(a[i__ + j * a_dim1]);
+		  d__3 = std::abs(a[i__ + j * a_dim1]);
 		    value =  (d__2>d__3) ? d__2 : d__3;
 		}
 	    }
@@ -57,11 +57,11 @@ F77_FUNC(dlansy,DLANSY)(const char *norm, const char *uplo, int *n, double *a, i
 		sum = 0.;
 		i__2 = j - 1;
 		for (i__ = 1; i__ <= i__2; ++i__) {
-		    absa = fabs(a[i__ + j * a_dim1]);
+		    absa = std::abs(a[i__ + j * a_dim1]);
 		    sum += absa;
 		    work[i__] += absa;
 		}
-		work[j] = sum + fabs(a[j + j * a_dim1]);
+		work[j] = sum + std::abs(a[j + j * a_dim1]);
 	    }
 	    i__1 = *n;
 	    for (i__ = 1; i__ <= i__1; ++i__) {
@@ -75,10 +75,10 @@ F77_FUNC(dlansy,DLANSY)(const char *norm, const char *uplo, int *n, double *a, i
 	    }
 	    i__1 = *n;
 	    for (j = 1; j <= i__1; ++j) {
-		sum = work[j] + fabs(a[j + j * a_dim1]);
+		sum = work[j] + std::abs(a[j + j * a_dim1]);
 		i__2 = *n;
 		for (i__ = j + 1; i__ <= i__2; ++i__) {
-		    absa = fabs(a[i__ + j * a_dim1]);
+		    absa = std::abs(a[i__ + j * a_dim1]);
 		    sum += absa;
 		    work[i__] += absa;
 		}
@@ -106,7 +106,7 @@ F77_FUNC(dlansy,DLANSY)(const char *norm, const char *uplo, int *n, double *a, i
 	sum *= 2;
 	i__1 = *lda + 1;
 	F77_FUNC(dlassq,DLASSQ)(n, &a[a_offset], &i__1, &scale, &sum);
-	value = scale * sqrt(sum);
+	value = scale *  std::sqrt(sum);
     }
 
     ret_val = value;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlapy2.c b/src/gromacs/linearalgebra/gmx_lapack/dlapy2.cpp
similarity index 68%
rename from src/gromacs/linearalgebra/gmx_lapack/dlapy2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlapy2.cpp
index d8b59d2fa3..c3b2124805 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlapy2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlapy2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 #include "gromacs/utility/real.h"
@@ -9,8 +9,8 @@ F77_FUNC(dlapy2,DLAPY2)(double * x, double * y)
   double xabs,yabs;
   double w,z;
 
-  xabs = fabs(*x);
-  yabs = fabs(*y);
+  xabs = std::abs(*x);
+  yabs = std::abs(*y);
   
   if(xabs>yabs) {
     w = xabs;
@@ -20,11 +20,11 @@ F77_FUNC(dlapy2,DLAPY2)(double * x, double * y)
     z = xabs;
   }
 
-  if( fabs(z)<GMX_DOUBLE_MIN) 
+  if( std::abs(z)<GMX_DOUBLE_MIN) 
     return w;
   else {
     z = z/w;
-    return w*sqrt(1.0+z*z);
+    return w* std::sqrt(1.0+z*z);
   }
 }
   
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlar1vx.c b/src/gromacs/linearalgebra/gmx_lapack/dlar1vx.cpp
similarity index 82%
rename from src/gromacs/linearalgebra/gmx_lapack/dlar1vx.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlar1vx.cpp
index 67c9a56f57..ad0704957f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlar1vx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlar1vx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -91,12 +100,12 @@ L40:
 	s = work[inds + i__] - *sigma;
     }
 
-    if (! (s > 0. || s < 1.)) {
+    if (isnan(s)) {
 
 	sawnan = 1;
 	j = *b1 + 1;
 L60:
-	if (work[inds + j] > 0. || work[inds + j] < 1.) {
+    if (!isnan(work[inds + j])) {
 	    ++j;
 	    goto L60;
 	}
@@ -106,7 +115,7 @@ L60:
 	for (i__ = j + 1; i__ <= i__1; ++i__) {
 	    dplus = d__[i__] + s;
 	    work[i__] = ld[i__] / dplus;
-	    if (fabs(work[i__])<GMX_DOUBLE_MIN) {
+	    if (std::abs(work[i__])<GMX_DOUBLE_MIN) {
 		work[inds + i__] = lld[i__];
 	    } else {
 		work[inds + i__] = s * work[i__] * l[i__];
@@ -124,12 +133,12 @@ L60:
 	work[indp + i__ - 1] = work[indp + i__] * tmp - *sigma;
     }
     tmp = work[indp + r1 - 1];
-    if (! (tmp > 0. || tmp < 1.)) {
+    if (isnan(tmp)) {
 
 	sawnan = 1;
 	j = *bn - 3;
 L90:
-	if (work[indp + j] > 0. || work[indp + j] < 1.) {
+    if (!isnan(work[indp + j])) {
 	    --j;
 	    goto L90;
 	}
@@ -139,7 +148,7 @@ L90:
 	    dminus = lld[i__] + work[indp + i__];
 	    tmp = d__[i__] / dminus;
 	    work[indumn + i__] = l[i__] * tmp;
-	    if (fabs(tmp)<GMX_DOUBLE_MIN) {
+	    if (std::abs(tmp)<GMX_DOUBLE_MIN) {
 		work[indp + i__ - 1] = d__[i__] - *sigma;
 	    } else {
 		work[indp + i__ - 1] = work[indp + i__] * tmp - *sigma;
@@ -148,17 +157,17 @@ L90:
     }
 
     *mingma = work[inds + r1 - 1] + work[indp + r1 - 1];
-    if (fabs(*mingma)<GMX_DOUBLE_MIN) {
+    if (std::abs(*mingma)<GMX_DOUBLE_MIN) {
 	*mingma = eps * work[inds + r1 - 1];
     }
     *r__ = r1;
     i__1 = r2 - 1;
     for (i__ = r1; i__ <= i__1; ++i__) {
 	tmp = work[inds + i__] + work[indp + i__];
-	if (fabs(tmp)<GMX_DOUBLE_MIN) {
+	if (std::abs(tmp)<GMX_DOUBLE_MIN) {
 	    tmp = eps * work[inds + i__];
 	}
-	if (fabs(tmp) < fabs(*mingma)) {
+	if (std::abs(tmp) < std::abs(*mingma)) {
 	    *mingma = tmp;
 	    *r__ = i__ + 1;
 	}
@@ -179,7 +188,7 @@ L120:
 		z__[i__] = -(work[i__] * z__[i__ + 1]);
 		*ztz += z__[i__] * z__[i__];
 	    }
-	    if (fabs(z__[to]) <= eps && fabs(z__[to + 1]) <= eps) {
+	    if (std::abs(z__[to]) <= eps && std::abs(z__[to + 1]) <= eps) {
 		isuppz[1] = to + 2;
 	    } else {
 		from = to - 1;
@@ -198,7 +207,7 @@ L140:
 		z__[i__] = -(work[indumn + i__ - 1] * z__[i__ - 1]);
 		*ztz += z__[i__] * z__[i__];
 	    }
-	    if (fabs(z__[to]) <= eps && fabs(z__[to - 1]) <= eps) {
+	    if (std::abs(z__[to]) <= eps && std::abs(z__[to - 1]) <= eps) {
 		isuppz[2] = to - 2;
 	    } else {
 		from = to + 1;
@@ -210,12 +219,12 @@ L140:
     } else {
 	i__1 = *b1;
 	for (i__ = *r__ - 1; i__ >= i__1; --i__) {
-	    if (fabs(z__[i__ + 1])<GMX_DOUBLE_MIN) {
+	    if (std::abs(z__[i__ + 1])<GMX_DOUBLE_MIN) {
 		z__[i__] = -(ld[i__ + 1] / ld[i__]) * z__[i__ + 2];
 	    } else {
 		z__[i__] = -(work[i__] * z__[i__ + 1]);
 	    }
-	    if (fabs(z__[i__]) <= eps && fabs(z__[i__ + 1]) <= eps) {
+	    if (std::abs(z__[i__]) <= eps && std::abs(z__[i__ + 1]) <= eps) {
 		isuppz[1] = i__ + 2;
 		goto L170;
 	    }
@@ -224,12 +233,12 @@ L140:
 L170:
 	i__1 = *bn - 1;
 	for (i__ = *r__; i__ <= i__1; ++i__) {
-	    if (fabs(z__[i__])<GMX_DOUBLE_MIN) {
+	    if (std::abs(z__[i__])<GMX_DOUBLE_MIN) {
 		z__[i__ + 1] = -(ld[i__ - 1] / ld[i__]) * z__[i__ - 1];
 	    } else {
 		z__[i__ + 1] = -(work[indumn + i__] * z__[i__]);
 	    }
-	    if (fabs(z__[i__]) <= eps && fabs(z__[i__ + 1]) <= eps) {
+	    if (std::abs(z__[i__]) <= eps && std::abs(z__[i__ + 1]) <= eps) {
 		isuppz[2] = i__ - 1;
 		break;
 	    }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarf.c b/src/gromacs/linearalgebra/gmx_lapack/dlarf.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarf.cpp
index f8414f6244..c263000a35 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarf.cpp
@@ -1,5 +1,5 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -17,7 +17,7 @@ F77_FUNC(dlarf,DLARF)(const char *side,
        int *ldc,
        double *work)
 {
-  const char ch=toupper(*side);
+  const char ch=std::toupper(*side);
   double one = 1.0;
   double zero = 0.0;
   double minustau = -(*tau);
@@ -25,12 +25,12 @@ F77_FUNC(dlarf,DLARF)(const char *side,
 
 
   if(ch=='L') {
-    if(fabs(*tau)>GMX_DOUBLE_MIN) {
+    if(std::abs(*tau)>GMX_DOUBLE_MIN) {
       F77_FUNC(dgemv,DGEMV)("T",m,n,&one,c,ldc,v,incv,&zero,work,&i1);
       F77_FUNC(dger,DGER)(m,n,&minustau,v,incv,work,&i1,c,ldc);
     }
   } else {
-    if(fabs(*tau)>GMX_DOUBLE_MIN) {
+    if(std::abs(*tau)>GMX_DOUBLE_MIN) {
       F77_FUNC(dgemv,DGEMV)("N",m,n,&one,c,ldc,v,incv,&zero,work,&i1);
       F77_FUNC(dger,DGER)(m,n,&minustau,work,&i1,v,incv,c,ldc);
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarfb.c b/src/gromacs/linearalgebra/gmx_lapack/dlarfb.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarfb.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarfb.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarfg.c b/src/gromacs/linearalgebra/gmx_lapack/dlarfg.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarfg.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarfg.cpp
index ff9bfbe297..b1f33b3325 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarfg.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarfg.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -26,7 +26,7 @@ F77_FUNC(dlarfg,DLARFG)(int   *n,
 
   xnorm = F77_FUNC(dnrm2,DNRM2)(&ti1,x,incx);
 
-  if(fabs(xnorm)<GMX_DOUBLE_MIN) {
+  if(std::abs(xnorm)<GMX_DOUBLE_MIN) {
     *tau = 0.0;
   } else {
 
@@ -42,12 +42,12 @@ F77_FUNC(dlarfg,DLARFG)(int   *n,
     safmin = minval*(1.0+GMX_DOUBLE_EPS) / GMX_DOUBLE_EPS;
 
         
-    if(fabs(beta)<safmin) {
+    if(std::abs(beta)<safmin) {
 
       knt = 0;
       rsafmn = 1.0 / safmin;
       
-      while(fabs(beta)<safmin) {
+      while(std::abs(beta)<safmin) {
 	knt++;
 	ti1 = *n-1;
 	F77_FUNC(dscal,DSCAL)(&ti1,&rsafmn,x,incx);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarft.c b/src/gromacs/linearalgebra/gmx_lapack/dlarft.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarft.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarft.cpp
index 43897c0cf5..f09a7b28c8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarft.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarft.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -40,7 +40,7 @@ F77_FUNC(dlarft,DLARFT)(const char *direct,
     if (*direct=='F' || *direct=='f') {
 	i__1 = *k;
 	for (i__ = 1; i__ <= i__1; ++i__) {
-	    if (fabs(tau[i__])<GMX_DOUBLE_MIN) {
+	    if (std::abs(tau[i__])<GMX_DOUBLE_MIN) {
 
 		i__2 = i__;
 		for (j = 1; j <= i__2; ++j) {
@@ -78,7 +78,7 @@ F77_FUNC(dlarft,DLARFT)(const char *direct,
 	}
     } else {
 	for (i__ = *k; i__ >= 1; --i__) {
-	    if (fabs(tau[i__])<GMX_DOUBLE_MIN) {
+	    if (std::abs(tau[i__])<GMX_DOUBLE_MIN) {
 
 		i__1 = *k;
 		for (j = i__; j <= i__1; ++j) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarnv.c b/src/gromacs/linearalgebra/gmx_lapack/dlarnv.cpp
similarity index 82%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarnv.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarnv.cpp
index 6f02e861e7..f7bf64d29a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarnv.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarnv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -44,9 +44,8 @@ F77_FUNC(dlarnv,DLARNV)(int *idist,
 
 	    i__2 = il;
 	    for (i__ = 1; i__ <= i__2; ++i__) {
-		x[iv + i__ - 1] = sqrt(log(u[(i__ << 1) - 2]) * -2.) * 
-		  cos(u[(i__ << 1) - 1] * 
-		      (double)6.2831853071795864769252867663);
+                x[iv + i__ - 1] =  std::sqrt(std::log(u[(i__ << 1) - 2]) * -2.) * 
+		  std::cos(u[(i__ << 1) - 1] * (double)6.2831853071795864769252867663);
 	    }
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarrbx.c b/src/gromacs/linearalgebra/gmx_lapack/dlarrbx.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarrbx.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarrbx.cpp
index bfe4304cd2..7bd312cb6d 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarrbx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarrbx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -31,9 +40,9 @@ F77_FUNC(dlarrbx,DLARRBX)(int *n,
     int i1, i2, ii, kk;
     double fac, gap, mid;
     int cnt;
-    double eps, tmp, left;
+    double tmp, left;
     int nint, prev, next, nleft;
-    double right, width, dplus, error;
+    double right, width, dplus;
     int nright, olnint;
     k = 0;
     right = 0.0;
@@ -49,7 +58,6 @@ F77_FUNC(dlarrbx,DLARRBX)(int *n,
     --d__;
 
     *info = 0;
-    eps = GMX_DOUBLE_EPS;
     i__1 = *n << 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	iwork[i__] = 0;
@@ -59,16 +67,6 @@ F77_FUNC(dlarrbx,DLARRBX)(int *n,
     prev = 0;
     i__1 = *ilast;
     for (i__ = *ifirst; i__ <= i__1; ++i__) {
-	ii = i__ - *offset;
-	if (i__ == *ifirst) {
-	    gap = wgap[ii];
-	} else if (i__ == *ilast) {
-	    gap = wgap[ii - 1];
-	} else {
-	    d__1 = wgap[ii - 1], d__2 = wgap[ii];
-	    gap = (d__1<d__2) ? d__1 : d__2;
-	}
-	error = werr[ii];
 	k = i__ << 1;
 	iwork[k - 1] = 1;
 	i2 = i__;
@@ -103,7 +101,7 @@ L40:
 		if (dplus < 0.) {
 		    ++cnt;
 		}
-		if (! (s > 0. || s < 1.)) {
+        if (isnan(s)) {
 
 		    cnt = 0;
 		    s = -left;
@@ -114,7 +112,7 @@ L40:
 			    ++cnt;
 			}
 			tmp = lld[j] / dplus;
-			if (fabs(tmp)<GMX_DOUBLE_MIN) {
+			if (std::abs(tmp)<GMX_DOUBLE_MIN) {
 			    s = lld[j] - left;
 			} else {
 			    s = s * tmp - left;
@@ -150,7 +148,7 @@ L60:
 	    if (dplus < 0.) {
 		++cnt;
 	    }
-	    if (! (s > 0. || s < 1.)) {
+	    if (isnan(s)) {
 
 		cnt = 0;
 		s = -right;
@@ -161,7 +159,7 @@ L60:
 			++cnt;
 		    }
 		    tmp = lld[j] / dplus;
-		    if (fabs(tmp)<GMX_DOUBLE_MIN) {
+		    if (std::abs(tmp)<GMX_DOUBLE_MIN) {
 			s = lld[j] - right;
 		    } else {
 			s = s * tmp - right;
@@ -215,8 +213,8 @@ L80:
 	nright = iwork[k];
 	mid = (left + right) * .5;
 	width = right - mid;
-	d__1 = fabs(left);
-	d__2 = fabs(right);
+	d__1 = std::abs(left);
+	d__2 = std::abs(right);
 	tmp = (d__1>d__2) ? d__1 : d__2;
 
 	gap = 0.;
@@ -267,7 +265,7 @@ L80:
 	if (dplus < 0.) {
 	    ++cnt;
 	}
-	if (! (s > 0. || s < 1.)) {
+	if (isnan(s)) {
 	    cnt = 0;
 	    s = -mid;
 	    i__2 = *n - 1;
@@ -277,7 +275,7 @@ L80:
 		    ++cnt;
 		}
 		tmp = lld[j] / dplus;
-		if (fabs(tmp)<GMX_DOUBLE_MIN) {
+		if (std::abs(tmp)<GMX_DOUBLE_MIN) {
 		    s = lld[j] - mid;
 		} else {
 		    s = s * tmp - mid;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarrex.c b/src/gromacs/linearalgebra/gmx_lapack/dlarrex.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarrex.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarrex.cpp
index fc48340a0d..6d4dfaca60 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarrex.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarrex.cpp
@@ -1,5 +1,14 @@
-#include <math.h>
-#include <ctype.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -80,7 +89,7 @@ F77_FUNC(dlarrex,DLARREX)(const char *range,
     *nsplit = 1;
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__]) <= *tol) {
+	if (std::abs(e[i__]) <= *tol) {
 	    isplit[*nsplit] = i__;
 	    ++(*nsplit);
 	}
@@ -102,19 +111,19 @@ F77_FUNC(dlarrex,DLARREX)(const char *range,
 	}
 	in = iend - ibegin + 1;
 
-	gl = d__[ibegin] - fabs(e[ibegin]);
-	gu = d__[ibegin] + fabs(e[ibegin]);
+	gl = d__[ibegin] - std::abs(e[ibegin]);
+	gu = d__[ibegin] + std::abs(e[ibegin]);
 	gersch[(ibegin << 1) - 1] = gl;
 	gersch[ibegin * 2] = gu;
-	gersch[(iend << 1) - 1] = d__[iend] - fabs(e[iend - 1]);
-	gersch[iend * 2] = d__[iend] + fabs(e[iend - 1]);
+	gersch[(iend << 1) - 1] = d__[iend] - std::abs(e[iend - 1]);
+	gersch[iend * 2] = d__[iend] + std::abs(e[iend - 1]);
 	d__1 = gersch[(iend << 1) - 1];
 	gl = (d__1<gl) ? d__1 : gl;
 	d__1 = gersch[iend * 2];
 	gu = (d__1>gu) ? d__1 : gu;
 	i__2 = iend - 1;
 	for (i__ = ibegin + 1; i__ <= i__2; ++i__) {
-	    offd = fabs(e[i__ - 1]) + fabs(e[i__]);
+	    offd = std::abs(e[i__ - 1]) + std::abs(e[i__]);
 	    gersch[(i__ << 1) - 1] = d__[i__] - offd;
 	    d__1 = gersch[(i__ << 1) - 1];
 	    gl = (d__1<gl) ? d__1 : gl;
@@ -122,7 +131,7 @@ F77_FUNC(dlarrex,DLARREX)(const char *range,
 	    d__1 = gersch[i__ * 2];
 	    gu = (d__1>gu) ? d__1 : gu;
 	}
-	d__1 = fabs(gl), d__2 = fabs(gu);
+	d__1 = std::abs(gl), d__2 = std::abs(gu);
 	nrm = (d__1>d__2) ? d__1 : d__2;
 
 	width = gu - gl;
@@ -183,7 +192,7 @@ L60:
 	}
 	for (i__ = in; i__ >= 1; --i__) {
 	    tmp = sgndef * work[i__];
-	    if (tmp < 0. || fabs(work[(in << 1) + i__])<GMX_DOUBLE_MIN || ! (tmp > 0. || tmp < 1.)) {
+        if (tmp < 0. || std::abs(work[(in << 1) + i__])<GMX_DOUBLE_MIN || isnan(tmp)) {
 		delta *= 2.;
 		goto L60;
 	    }
@@ -238,7 +247,7 @@ L100:
 
 	for (i__ = in; i__ >= 1; --i__) {
 	    tmp = sgndef * work[i__];
-	    if (tmp < 0. || fabs(work[(in << 1) + i__])<GMX_DOUBLE_MIN || ! (tmp > 0. || tmp < 1.)) {
+	    if (tmp < 0. || std::abs(work[(in << 1) + i__])<GMX_DOUBLE_MIN || isnan(tmp)) {
 		delta *= 2.;
 		goto L100;
 	    }
@@ -249,7 +258,7 @@ L100:
 	i__2 = in - 1;
 	F77_FUNC(dcopy,DCOPY)(&i__2, &work[in + 1], &c__1, &e[ibegin], &c__1);
 	e[iend] = sigma;
-	tmp = (double) in * 4. * eps * (fabs(sigma) + fabs(tau));
+	tmp = (double) in * 4. * eps * (std::abs(sigma) + std::abs(tau));
 	i__2 = iend;
 	for (i__ = ibegin; i__ <= i__2; ++i__) {
 	    gersch[(i__ << 1) - 1] = gersch[(i__ << 1) - 1] - sigma - tmp;
@@ -259,11 +268,11 @@ L100:
 	j = ibegin;
 	i__2 = in - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	    work[(i__ << 1) - 1] = fabs(d__[j]);
+	    work[(i__ << 1) - 1] = std::abs(d__[j]);
 	    work[i__ * 2] = e[j] * e[j] * work[(i__ << 1) - 1];
 	    ++j;
 	}
-	work[(in << 1) - 1] = fabs(d__[iend]);
+	work[(in << 1) - 1] = std::abs(d__[iend]);
 
 	F77_FUNC(dlasq2,DLASQ2)(&in, &work[1], info);
 	if (*info != 0) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarrfx.c b/src/gromacs/linearalgebra/gmx_lapack/dlarrfx.cpp
similarity index 74%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarrfx.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarrfx.cpp
index 35b6a13a08..233897ba0b 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarrfx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarrfx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -44,17 +53,17 @@ F77_FUNC(dlarrfx,DLARRFX)(int *n,
 L10:
     s = -(*sigma);
     dplus[1] = d__[1] + s;
-    dmax1 = fabs(dplus[1]);
+    dmax1 = std::abs(dplus[1]);
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	lplus[i__] = ld[i__] / dplus[i__];
 	s = s * lplus[i__] * l[i__] - *sigma;
 	dplus[i__ + 1] = d__[i__ + 1] + s;
-	d__2 = dmax1, d__3 = fabs(dplus[i__ + 1]);
+	d__2 = dmax1, d__3 = std::abs(dplus[i__ + 1]);
 	dmax1 = (d__2>d__3) ? d__2 : d__3;
     }
-    if (! (dmax1 > 0. || dmax1 < 1.)) {
-	*sigma -= fabs(*sigma) * delta;
+    if (isnan(dmax1)) {
+	*sigma -= std::abs(*sigma) * delta;
 	delta *= 2.;
 	goto L10;
     }
@@ -64,17 +73,17 @@ L10:
 L30:
     s = -tmp;
     work[1] = d__[1] + s;
-    dmax2 = fabs(work[1]);
+    dmax2 = std::abs(work[1]);
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	work[*n + i__] = ld[i__] / work[i__];
 	s = s * work[*n + i__] * l[i__] - tmp;
 	work[i__ + 1] = d__[i__ + 1] + s;
-	d__2 = dmax2, d__3 = fabs(work[i__ + 1]);
+	d__2 = dmax2, d__3 = std::abs(work[i__ + 1]);
 	dmax2 = (d__2>d__3) ? d__2 : d__3;
     }
-    if (! (dmax2 > 0. || dmax2 < 1.)) {
-	tmp += fabs(tmp) * delta;
+    if (isnan(dmax2)) {
+	tmp += std::abs(tmp) * delta;
 	delta *= 2.;
 	goto L30;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlarrvx.c b/src/gromacs/linearalgebra/gmx_lapack/dlarrvx.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/dlarrvx.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlarrvx.cpp
index 378f21db16..953d975fdd 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlarrvx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlarrvx.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -132,11 +132,11 @@ L171:
 	F77_FUNC(dcopy,DCOPY)(&im, &w[wbegin], &c__1, &work[1], &c__1);
 	i__2 = im - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	    work[inderr + i__] = eps * fabs(work[i__]);
+	    work[inderr + i__] = eps * std::abs(work[i__]);
 	    work[indgap + i__] = work[i__ + 1] - work[i__];
 	}
-	work[inderr + im] = eps * fabs(work[im]);
-	d__2 = fabs(work[im]);
+	work[inderr + im] = eps * std::abs(work[im]);
+	d__2 = std::abs(work[im]);
 	work[indgap + im] = (d__2>eps) ? d__2 : eps;
 	ndone = 0;
 
@@ -197,11 +197,11 @@ L40:
 		i__3 = oldlst;
 		for (j = oldfst; j <= i__3; ++j) {
 		    if (j == oldlst || work[indgap + j] >= 
-			reltol * fabs(work[j])) {
+			reltol * std::abs(work[j])) {
 			newlst = j;
 		    } else {
 
-			relgap = work[indgap + j] / fabs(work[j]);
+			relgap = work[indgap + j] / std::abs(work[j]);
 			if (j == newfrs) {
 			    minrgp = relgap;
 			} else {
@@ -220,7 +220,7 @@ L40:
 				z_dim1], &z__[ibegin + (newftt + 1) * z_dim1],
 				 &work[indwrk], info);
 			if (*info == 0) {
-			    tmp = eps * fabs(sigma);
+			    tmp = eps * std::abs(sigma);
 			    i__4 = newlst;
 			    for (k = newfrs; k <= i__4; ++k) {
 				work[k] -= sigma;
@@ -234,10 +234,7 @@ L40:
 			    iwork[k] = newlst;
 			} else {
 			    *info = 0;
-			    if (minrgp >= mgstol) {
-				nomgs = 0;
-			    } else {
-
+			    if (minrgp < mgstol) {
 				work[indwrk] = d__[ibegin];
 				i__4 = in - 1;
 				for (k = 1; k <= i__4; ++k) {
@@ -281,8 +278,8 @@ L90:
 				    &ztz, &mingma, &iwork[iindr + ktot], &
 				    isuppz[(ktot << 1) - 1], &work[indwrk]);
 			    tmp = 1. / ztz;
-			    nrminv = sqrt(tmp);
-			    resid = fabs(mingma) * nrminv;
+			    nrminv =  std::sqrt(tmp);
+			    resid = std::abs(mingma) * nrminv;
 			    rqcorr = mingma * tmp;
 			    if (k == in) {
 				gap = work[indgap + k - 1];
@@ -294,8 +291,8 @@ L90:
 				gap = (d__1<d__2) ? d__1 : d__2;
 			    }
 			    ++iter;
-			    if (resid > *tol * gap && fabs(rqcorr) > eps * 4. *
-				     fabs(lambda)) {
+			    if (resid > *tol * gap && std::abs(rqcorr) > eps * 4. *
+				     std::abs(lambda)) {
 				work[k] = lambda + rqcorr;
 				if (iter < 8) {
 				    goto L90;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlartg.c b/src/gromacs/linearalgebra/gmx_lapack/dlartg.cpp
similarity index 70%
rename from src/gromacs/linearalgebra/gmx_lapack/dlartg.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlartg.cpp
index 92ae0b19ed..53d9b9f74c 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlartg.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlartg.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -18,24 +18,24 @@ F77_FUNC(dlartg,DLARTG)(double *f,
   eps = GMX_DOUBLE_EPS;
   minval = GMX_DOUBLE_MIN;
   safemin = minval*(1.0+eps);
-  n = 0.5*log( safemin/eps ) / log(2);
-  safemin2 = pow(2,n);
+  n = static_cast<int>(0.5*std::log( safemin/eps ) / std::log(2.0));
+  safemin2 = std::pow(2.0,static_cast<double>(n));
 
   safemx2 = 1.0 / safemin2;
 
-  if(fabs(*g)<GMX_DOUBLE_MIN) {
+  if(std::abs(*g)<GMX_DOUBLE_MIN) {
     *cs = 1.0;
     *sn = 0.0;
     *r = *f;
-  } else if (fabs(*f)<GMX_DOUBLE_MIN) {
+  } else if (std::abs(*f)<GMX_DOUBLE_MIN) {
     *cs = 0.0;
     *sn = 1.0;
     *r = *g;
   } else {
     f1 = *f;
     g1 = *g;
-    f1a = fabs(f1);
-    g1a = fabs(g1);
+    f1a = std::abs(f1);
+    g1a = std::abs(g1);
     scale = (f1a > g1a) ? f1a : g1a;
     if(scale >= safemx2) {
       count = 0;
@@ -43,11 +43,11 @@ F77_FUNC(dlartg,DLARTG)(double *f,
 	count++;
 	f1 *= safemin2;
 	g1 *= safemin2;
-	f1a = fabs(f1);
-	g1a = fabs(g1);
+	f1a = std::abs(f1);
+	g1a = std::abs(g1);
 	scale = (f1a > g1a) ? f1a : g1a;
       }
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
       for(i=0;i<count;i++)
@@ -58,21 +58,21 @@ F77_FUNC(dlartg,DLARTG)(double *f,
 	count++;
 	f1 *= safemx2;
 	g1 *= safemx2;
-	f1a = fabs(f1);
-	g1a = fabs(g1);
+	f1a = std::abs(f1);
+	g1a = std::abs(g1);
 	scale = (f1a > g1a) ? f1a : g1a;
       }
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
       for(i=0;i<count;i++)
 	*r *= safemin2;
     } else {
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
     }
-    if(fabs(*f)>fabs(*g) && *cs<0.0) {
+    if(std::abs(*f)>std::abs(*g) && *cs<0.0) {
       *cs *= -1.0;
       *sn *= -1.0;
       *r  *= -1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaruv.c b/src/gromacs/linearalgebra/gmx_lapack/dlaruv.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaruv.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaruv.cpp
index 805a34ffc6..4e042e4485 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlaruv.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlaruv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlas2.c b/src/gromacs/linearalgebra/gmx_lapack/dlas2.cpp
similarity index 70%
rename from src/gromacs/linearalgebra/gmx_lapack/dlas2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlas2.cpp
index c86f060626..38a6f96023 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlas2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlas2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -10,25 +10,25 @@ F77_FUNC(dlas2,DLAS2)(double *f,
        double *ssmin,
        double *ssmax)
 {
-  double fa = fabs(*f);
-  double ga = fabs(*g);
-  double ha = fabs(*h);
+  double fa = std::abs(*f);
+  double ga = std::abs(*g);
+  double ha = std::abs(*h);
   double fhmin,fhmax,tmax,tmin,tmp1,tmp2;
   double as,at,au,c;
 
   fhmin = (fa<ha) ? fa : ha;
   fhmax = (fa>ha) ? fa : ha;
   
-  if(fabs(fhmin)<GMX_DOUBLE_MIN) {
+  if(std::abs(fhmin)<GMX_DOUBLE_MIN) {
     *ssmin = 0.0;
-    if(fabs(fhmax)<GMX_DOUBLE_MIN) 
+    if(std::abs(fhmax)<GMX_DOUBLE_MIN) 
       *ssmax = ga;
     else {
       tmax = (fhmax>ga) ? fhmax : ga;
       tmin = (fhmax<ga) ? fhmax : ga;
       tmp1 = tmin / tmax;
       tmp1 = tmp1 * tmp1;
-      *ssmax = tmax*sqrt(1.0 + tmp1);
+      *ssmax = tmax* std::sqrt(1.0 + tmp1);
     }
   } else {
     if(ga<fhmax) {
@@ -36,12 +36,12 @@ F77_FUNC(dlas2,DLAS2)(double *f,
       at = (fhmax-fhmin) / fhmax;
       au = (ga/fhmax);
       au = au * au;
-      c = 2.0 / ( sqrt(as*as+au) + sqrt(at*at+au) );
+      c = 2.0 / (  std::sqrt(as*as+au) + std::sqrt(at*at+au) );
       *ssmin = fhmin * c;
       *ssmax = fhmax / c;
     } else {
       au = fhmax / ga;
-      if(fabs(au)<GMX_DOUBLE_MIN) {
+      if(std::abs(au)<GMX_DOUBLE_MIN) {
 	*ssmin = (fhmin*fhmax)/ga;
 	*ssmax = ga;
       } else {
@@ -49,7 +49,7 @@ F77_FUNC(dlas2,DLAS2)(double *f,
 	at = (fhmax-fhmin)/fhmax;
 	tmp1 = as*au;
 	tmp2 = at*au;
-	c = 1.0 / ( sqrt(1.0+tmp1*tmp1) + sqrt(1.0+tmp2*tmp2));
+	c = 1.0 / (  std::sqrt(1.0+tmp1*tmp1) + std::sqrt(1.0+tmp2*tmp2));
 	*ssmin = (fhmin*c)*au;
 	*ssmin = *ssmin + *ssmin;
 	*ssmax = ga / (c+c);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlascl.c b/src/gromacs/linearalgebra/gmx_lapack/dlascl.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dlascl.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlascl.cpp
index 8605da41f6..31d2295eee 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlascl.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlascl.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -18,7 +18,7 @@ F77_FUNC(dlascl,DLASCL)(const char *type,
                         int *lda,
                         int *info)
 {
-  const char ch=toupper(*type);
+  const char ch=std::toupper(*type);
   int i,j,k,l,k1,k2,k3,k4;
   int done=0;
   double minval,smlnum,bignum;
@@ -39,11 +39,11 @@ F77_FUNC(dlascl,DLASCL)(const char *type,
     cfrom1 = cfromc * smlnum;
     cto1   = ctoc / bignum;
 
-    if(fabs(cfrom1)>fabs(ctoc) && fabs(ctoc)>GMX_DOUBLE_MIN) {
+    if(std::abs(cfrom1)>std::abs(ctoc) && std::abs(ctoc)>GMX_DOUBLE_MIN) {
       mul = smlnum;
       done = 0;
       cfromc = cfrom1;
-    } else if(fabs(cto1)>fabs(cfromc)) {
+    } else if(std::abs(cto1)>std::abs(cfromc)) {
       mul = bignum;
       done = 0;
       ctoc = cto1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd0.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd0.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd0.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd0.cpp
index 2d7dc56d37..4059c7e23a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd0.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd0.cpp
@@ -54,7 +54,6 @@ F77_FUNC(dlasd0,DLASD0)(int *n,
 	*info = -9;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd1.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd1.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd1.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd1.cpp
index 8e4bf43d96..1fc082c329 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd1.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd1.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void 
@@ -51,7 +51,6 @@ F77_FUNC(dlasd1,DLASD1)(int *nl,
 	*info = -3;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -73,14 +72,14 @@ F77_FUNC(dlasd1,DLASD1)(int *nl,
     coltyp = idxc + n;
     idxp = coltyp + n;
 
-    d__1 = fabs(*alpha);
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha);
+    d__2 = std::abs(*beta);
     orgnrm = (d__1>d__2) ? d__1 : d__2;
     d__[*nl + 1] = 0.;
     i__1 = n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(d__[i__]) > orgnrm) {
-	    orgnrm = fabs(d__[i__]);
+	if (std::abs(d__[i__]) > orgnrm) {
+	    orgnrm = std::abs(d__[i__]);
 	}
     }
     F77_FUNC(dlascl,DLASCL)("G", &c__0, &c__0, &orgnrm, &one, &n, &c__1, &d__[1], &n, info);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd2.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd2.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd2.cpp
index 613919a7e8..200c901900 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -123,16 +123,16 @@ F77_FUNC(dlasd2,DLASD2)(int *nl,
     }
 
     eps = GMX_DOUBLE_EPS;
-    d__1 = fabs(*alpha), d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha), d__2 = std::abs(*beta);
     tol = (d__1 > d__2) ? d__1 : d__2;
-    d__2 = fabs(d__[n]);
+    d__2 = std::abs(d__[n]);
     tol = eps * 8. * ((d__2 > tol) ? d__2 : tol);
 
     *k = 1;
     k2 = n + 1;
     i__1 = n;
     for (j = 2; j <= i__1; ++j) {
-	if (fabs(z__[j]) <= tol) {
+	if (std::abs(z__[j]) <= tol) {
 
 	    --k2;
 	    idxp[k2] = j;
@@ -152,14 +152,14 @@ L100:
     if (j > n) {
 	goto L110;
     }
-    if (fabs(z__[j]) <= tol) {
+    if (std::abs(z__[j]) <= tol) {
 
 	--k2;
 	idxp[k2] = j;
 	coltyp[j] = 4;
     } else {
 
-	if (fabs(d__[j] - d__[jprev]) <= tol) {
+	if (std::abs(d__[j] - d__[jprev]) <= tol) {
 
             s = z__[jprev];
 	    c__ = z__[j];
@@ -243,7 +243,7 @@ L120:
 
     dsigma[1] = 0.;
     hlftol = tol / 2.;
-    if (fabs(dsigma[2]) <= hlftol) {
+    if (std::abs(dsigma[2]) <= hlftol) {
 	dsigma[2] = hlftol;
     }
     if (m > n) {
@@ -257,7 +257,7 @@ L120:
 	    s = z__[m] / z__[1];
 	}
     } else {
-	if (fabs(z1) <= tol) {
+	if (std::abs(z1) <= tol) {
 	    z__[1] = tol;
 	} else {
 	    z__[1] = z1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd3.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd3.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd3.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd3.cpp
index 33ca0e6a4b..6f280d962a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd3.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd3.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -38,10 +38,6 @@ F77_FUNC(dlasd3,DLASD3)(int *nl,
     int c__0 = 0;
     double zero = 0.0;
     double one = 1.0;
-    double *p1,*p2,t1,t2;
-
-    p1 = &t1;
-    p2 = &t2;
 
     --d__;
     q_dim1 = *ldq;
@@ -81,7 +77,7 @@ F77_FUNC(dlasd3,DLASD3)(int *nl,
     nlp2 = *nl + 2;
 
     if (*k == 1) {
-	d__[1] = fabs(z__[1]);
+	d__[1] = std::abs(z__[1]);
 	F77_FUNC(dcopy,DCOPY)(&m, &vt2[vt2_dim1 + 1], ldvt2, &vt[vt_dim1 + 1], ldvt);
 	if (z__[1] > 0.) {
 	    F77_FUNC(dcopy,DCOPY)(&n, &u2[u2_dim1 + 1], &c__1, &u[u_dim1 + 1], &c__1);
@@ -94,16 +90,6 @@ F77_FUNC(dlasd3,DLASD3)(int *nl,
 	return;
     }
 
-    i__1 = *k;
-    for (i__ = 1; i__ <= i__1; ++i__) {
-      t1 = dsigma[i__];
-      t2 = dsigma[i__];
-      /* force store and reload from memory */
-      t1 = (*p1) + (*p2) - dsigma[i__];
-
-      dsigma[i__] = t1;
-    }
-
     F77_FUNC(dcopy,DCOPY)(k, &z__[1], &c__1, &q[q_offset], &c__1);
 
     rho = F77_FUNC(dnrm2,DNRM2)(k, &z__[1], &c__1);
@@ -134,7 +120,7 @@ F77_FUNC(dlasd3,DLASD3)(int *nl,
 	    z__[i__] *= u[i__ + j * u_dim1] * vt[i__ + j * vt_dim1] / (dsigma[
 		    i__] - dsigma[j + 1]) / (dsigma[i__] + dsigma[j + 1]);
 	}
-	d__2 = sqrt(fabs(z__[i__]));
+	d__2 =  std::sqrt(std::abs(z__[i__]));
 	z__[i__] = (q[i__ + q_dim1] > 0) ? d__2 : -d__2;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd4.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd4.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd4.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd4.cpp
index d5130dfe9b..c48cbb3b17 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd4.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd4.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -47,7 +47,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
     *info = 0;
     if (*n == 1) {
 
-	*sigma = sqrt(d__[1] * d__[1] + *rho * z__[1] * z__[1]);
+	*sigma =  std::sqrt(d__[1] * d__[1] + *rho * z__[1] * z__[1]);
 	delta[1] = 1.;
 	work[1] = 1.;
 	return;
@@ -67,7 +67,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 
 	temp = *rho / 2.;
 
-	temp1 = temp / (d__[*n] + sqrt(d__[*n] * d__[*n] + temp));
+	temp1 = temp / (d__[*n] +  std::sqrt(d__[*n] * d__[*n] + temp));
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    work[j] = d__[j] + d__[*n] + temp1;
@@ -85,7 +85,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		n] / (delta[*n] * work[*n]);
 
 	if (w <= 0.) {
-	    temp1 = sqrt(d__[*n] * d__[*n] + *rho);
+	    temp1 =  std::sqrt(d__[*n] * d__[*n] + *rho);
 	    temp = z__[*n - 1] * z__[*n - 1] / ((d__[*n - 1] + temp1) * (d__[*
 		    n] - d__[*n - 1] + *rho / (d__[*n] + temp1))) + z__[*n] * 
 		    z__[*n] / *rho;
@@ -98,9 +98,9 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 			n];
 		b = z__[*n] * z__[*n] * delsq;
 		if (a < 0.) {
-		    tau = b * 2. / (sqrt(a * a + b * 4. * c__) - a);
+		    tau = b * 2. / ( std::sqrt(a * a + b * 4. * c__) - a);
 		} else {
-		    tau = (a + sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
+		    tau = (a +  std::sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
 		}
 	    }
 
@@ -110,14 +110,14 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    b = z__[*n] * z__[*n] * delsq;
 
 	    if (a < 0.) {
-		tau = b * 2. / (sqrt(a * a + b * 4. * c__) - a);
+		tau = b * 2. / ( std::sqrt(a * a + b * 4. * c__) - a);
 	    } else {
-		tau = (a + sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
+		tau = (a +  std::sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
 	    }
 
 	}
 
-	eta = tau / (d__[*n] + sqrt(d__[*n] * d__[*n] + tau));
+	eta = tau / (d__[*n] +  std::sqrt(d__[*n] * d__[*n] + tau));
 
 	*sigma = d__[*n] + eta;
 	i__1 = *n;
@@ -136,17 +136,17 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	temp = z__[*n] / (delta[*n] * work[*n]);
 	phi = z__[*n] * temp;
 	dphi = temp * temp;
-	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (dpsi 
+	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (dpsi 
 		+ dphi);
 
 	w = rhoinv + phi + psi;
 
-	if (fabs(w) <= eps * erretm) {
+	if (std::abs(w) <= eps * erretm) {
 	    goto L240;
 	}
 
@@ -157,14 +157,14 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	a = (dtnsq + dtnsq1) * w - dtnsq * dtnsq1 * (dpsi + dphi);
 	b = dtnsq * dtnsq1 * w;
 	if (c__ < 0.) {
-	    c__ = fabs(c__);
+	    c__ = std::abs(c__);
 	}
-	if ( fabs(c__)<GMX_DOUBLE_MIN) {
+	if ( std::abs(c__)<GMX_DOUBLE_MIN) {
 	    eta = *rho - *sigma * *sigma;
 	} else if (a >= 0.) {
-	    eta = (a + sqrt(fabs(a * a - b * 4. * c__))) / (c__  * 2.);
+	    eta = (a +  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__  * 2.);
 	} else {
-	  eta = b * 2. / (a - sqrt(fabs(a * a - b * 4. * c__)));
+	  eta = b * 2. / (a -  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	}
 
 	if (w * eta > 0.) {
@@ -176,7 +176,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	}
 
 	tau += eta;
-	eta /= *sigma + sqrt(eta + *sigma * *sigma);
+	eta /= *sigma +  std::sqrt(eta + *sigma * *sigma);
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    delta[j] -= eta;
@@ -195,12 +195,12 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	temp = z__[*n] / (work[*n] * delta[*n]);
 	phi = z__[*n] * temp;
 	dphi = temp * temp;
-	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (dpsi 
+	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (dpsi 
 		+ dphi);
 
 	w = rhoinv + phi + psi;
@@ -209,7 +209,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 
 	for (niter = iter; niter <= 20; ++niter) {
 
-	    if (fabs(w) <= eps * erretm) {
+	    if (std::abs(w) <= eps * erretm) {
 		goto L240;
 	    }
 	    dtnsq1 = work[*n - 1] * delta[*n - 1];
@@ -218,9 +218,9 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    a = (dtnsq + dtnsq1) * w - dtnsq1 * dtnsq * (dpsi + dphi);
 	    b = dtnsq1 * dtnsq * w;
 	    if (a >= 0.) {
-		eta = (a + sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		eta = (a +  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    } else {
-	      eta = b * 2. / (a - sqrt(fabs(a * a - b * 4. * c__)));
+	      eta = b * 2. / (a -  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    }
 
 	    if (w * eta > 0.) {
@@ -232,7 +232,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    }
 
 	    tau += eta;
-	    eta /= *sigma + sqrt(eta + *sigma * *sigma);
+	    eta /= *sigma +  std::sqrt(eta + *sigma * *sigma);
 	    i__1 = *n;
 	    for (j = 1; j <= i__1; ++j) {
 		delta[j] -= eta;
@@ -251,12 +251,12 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		dpsi += temp * temp;
 		erretm += psi;
 	    }
-	    erretm = fabs(erretm);
+	    erretm = std::abs(erretm);
 
 	    temp = z__[*n] / (work[*n] * delta[*n]);
 	    phi = z__[*n] * temp;
 	    dphi = temp * temp;
-	    erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (
+	    erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (
 		    dpsi + dphi);
 
 	    w = rhoinv + phi + psi;
@@ -272,7 +272,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 
 	delsq = (d__[ip1] - d__[*i__]) * (d__[ip1] + d__[*i__]);
 	delsq2 = delsq / 2.;
-	temp = delsq2 / (d__[*i__] + sqrt(d__[*i__] * d__[*i__] + delsq2));
+	temp = delsq2 / (d__[*i__] +  std::sqrt(d__[*i__] * d__[*i__] + delsq2));
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    work[j] = d__[j] + d__[*i__] + temp;
@@ -302,11 +302,11 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    a = c__ * delsq + z__[*i__] * z__[*i__] + z__[ip1] * z__[ip1];
 	    b = z__[*i__] * z__[*i__] * delsq;
 	    if (a > 0.) {
-		tau = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		tau = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    } else {
-		tau = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		tau = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    }
-	    eta = tau / (d__[*i__] + sqrt(d__[*i__] * d__[*i__] + tau));
+	    eta = tau / (d__[*i__] +  std::sqrt(d__[*i__] * d__[*i__] + tau));
 	} else {
 
 	    orgati = 0;
@@ -315,11 +315,11 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    a = c__ * delsq - z__[*i__] * z__[*i__] - z__[ip1] * z__[ip1];
 	    b = z__[ip1] * z__[ip1] * delsq;
 	    if (a < 0.) {
-		tau = b * 2. / (a - sqrt(fabs(a * a + b * 4. * c__)));
+		tau = b * 2. / (a -  std::sqrt(std::abs(a * a + b * 4. * c__)));
 	    } else {
-		tau = -(a + sqrt(fabs(a * a + b * 4. * c__))) /	(c__ * 2.);
+		tau = -(a +  std::sqrt(std::abs(a * a + b * 4. * c__))) /	(c__ * 2.);
 	    }
-	    eta = tau / (d__[ip1] + sqrt(fabs(d__[ip1] * d__[ip1] + tau)));
+	    eta = tau / (d__[ip1] +  std::sqrt(std::abs(d__[ip1] * d__[ip1] + tau)));
 	}
 
 	if (orgati) {
@@ -352,7 +352,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	dphi = 0.;
 	phi = 0.;
@@ -384,10 +384,10 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	dw = dpsi + dphi + temp * temp;
 	temp = z__[ii] * temp;
 	w += temp;
-	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. + 
-		fabs(tau) * dw;
+	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. + 
+		std::abs(tau) * dw;
 
-	if (fabs(w) <= eps * erretm) {
+	if (std::abs(w) <= eps * erretm) {
 	    goto L240;
 	}
 
@@ -410,8 +410,8 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    }
 	    a = (dtipsq + dtisq) * w - dtipsq * dtisq * dw;
 	    b = dtipsq * dtisq * w;
-	    if ( fabs(c__)<GMX_DOUBLE_MIN) {
-		if ( fabs(a)<GMX_DOUBLE_MIN) {
+	    if ( std::abs(c__)<GMX_DOUBLE_MIN) {
+		if ( std::abs(a)<GMX_DOUBLE_MIN) {
 		    if (orgati) {
 			a = z__[*i__] * z__[*i__] + dtipsq * dtipsq * (dpsi + 
 				dphi);
@@ -422,9 +422,9 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		}
 		eta = b / a;
 	    } else if (a <= 0.) {
-		eta = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		eta = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    } else {
-		eta = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		eta = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    }
 	} else {
 
@@ -483,7 +483,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	}
 
 	tau += eta;
-	eta /= *sigma + sqrt(*sigma * *sigma + eta);
+	eta /= *sigma +  std::sqrt(*sigma * *sigma + eta);
 
 	prew = w;
 
@@ -504,7 +504,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	dphi = 0.;
 	phi = 0.;
@@ -520,8 +520,8 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	dw = dpsi + dphi + temp * temp;
 	temp = z__[ii] * temp;
 	w = rhoinv + phi + psi + temp;
-	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. + 
-		fabs(tau) * dw;
+	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. + 
+		std::abs(tau) * dw;
 
 	if (w <= 0.) {
 	    sg2lb = (sg2lb > tau) ? sg2lb : tau;
@@ -531,11 +531,11 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 
 	swtch = 0;
 	if (orgati) {
-	    if (-w > fabs(prew) / 10.) {
+	    if (-w > std::abs(prew) / 10.) {
 		swtch = 1;
 	    }
 	} else {
-	    if (w > fabs(prew) / 10.) {
+	    if (w > std::abs(prew) / 10.) {
 		swtch = 1;
 	    }
 	}
@@ -544,7 +544,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 
 	for (niter = iter; niter <= 20; ++niter) {
 
-	    if (fabs(w) <= eps * erretm) {
+	    if (std::abs(w) <= eps * erretm) {
 		goto L240;
 	    }
 
@@ -570,8 +570,8 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		}
 		a = (dtipsq + dtisq) * w - dtipsq * dtisq * dw;
 		b = dtipsq * dtisq * w;
-		if (fabs(c__)<GMX_DOUBLE_MIN) {
-		    if (fabs(a)<GMX_DOUBLE_MIN) {
+		if (std::abs(c__)<GMX_DOUBLE_MIN) {
+		    if (std::abs(a)<GMX_DOUBLE_MIN) {
 			if (! swtch) {
 			    if (orgati) {
 				a = z__[*i__] * z__[*i__] + dtipsq * dtipsq * 
@@ -586,9 +586,9 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		    }
 		    eta = b / a;
 		} else if (a <= 0.) {
-		  eta = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		  eta = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 		} else {
-		  eta = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		  eta = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 		}
 	    } else {
 
@@ -654,7 +654,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    }
 
 	    tau += eta;
-	    eta /= *sigma + sqrt(*sigma * *sigma + eta);
+	    eta /= *sigma +  std::sqrt(*sigma * *sigma + eta);
 
 	    *sigma += eta;
 	    i__1 = *n;
@@ -675,7 +675,7 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 		dpsi += temp * temp;
 		erretm += psi;
 	    }
-	    erretm = fabs(erretm);
+	    erretm = std::abs(erretm);
 
 	    dphi = 0.;
 	    phi = 0.;
@@ -691,9 +691,9 @@ F77_FUNC(dlasd4,DLASD4)(int *n,
 	    dw = dpsi + dphi + temp * temp;
 	    temp = z__[ii] * temp;
 	    w = rhoinv + phi + psi + temp;
-	    erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. 
-		    + fabs(tau) * dw;
-	    if (w * prew > 0. && fabs(w) > fabs(prew) / 10.) {
+	    erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. 
+		    + std::abs(tau) * dw;
+	    if (w * prew > 0. && std::abs(w) > std::abs(prew) / 10.) {
 		swtch = ! swtch;
 	    }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd5.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd5.cpp
similarity index 73%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd5.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd5.cpp
index e861f33474..8c3ab8ba90 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd5.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd5.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void 
@@ -26,9 +26,9 @@ F77_FUNC(dlasd5,DLASD5)(int *i__,
 	    b = delsq + *rho * (z__[1] * z__[1] + z__[2] * z__[2]);
 	    c__ = *rho * z__[1] * z__[1] * delsq;
 
-	    tau = c__ * 2. / (b + sqrt(fabs(b * b - c__ * 4.)));
+	    tau = c__ * 2. / (b +  std::sqrt(std::abs(b * b - c__ * 4.)));
 
-	    tau /= d__[1] + sqrt(d__[1] * d__[1] + tau);
+	    tau /= d__[1] +  std::sqrt(d__[1] * d__[1] + tau);
 	    *dsigma = d__[1] + tau;
 	    delta[1] = -tau;
 	    delta[2] = del - tau;
@@ -39,12 +39,12 @@ F77_FUNC(dlasd5,DLASD5)(int *i__,
 	    c__ = *rho * z__[2] * z__[2] * delsq;
 
 	    if (b > 0.) {
-		tau = c__ * -2. / (b + sqrt(b * b + c__ * 4.));
+		tau = c__ * -2. / (b +  std::sqrt(b * b + c__ * 4.));
 	    } else {
-		tau = (b - sqrt(b * b + c__ * 4.)) / 2.;
+		tau = (b -  std::sqrt(b * b + c__ * 4.)) / 2.;
 	    }
 
-	    tau /= d__[2] + sqrt(fabs(d__[2] * d__[2] + tau));
+	    tau /= d__[2] +  std::sqrt(std::abs(d__[2] * d__[2] + tau));
 	    *dsigma = d__[2] + tau;
 	    delta[1] = -(del + tau);
 	    delta[2] = -tau;
@@ -57,11 +57,11 @@ F77_FUNC(dlasd5,DLASD5)(int *i__,
 	c__ = *rho * z__[2] * z__[2] * delsq;
 
 	if (b > 0.) {
-	    tau = (b + sqrt(b * b + c__ * 4.)) / 2.;
+	    tau = (b +  std::sqrt(b * b + c__ * 4.)) / 2.;
 	} else {
-	    tau = c__ * 2. / (-b + sqrt(b * b + c__ * 4.));
+	    tau = c__ * 2. / (-b +  std::sqrt(b * b + c__ * 4.));
 	}
-	tau /= d__[2] + sqrt(d__[2] * d__[2] + tau);
+	tau /= d__[2] +  std::sqrt(d__[2] * d__[2] + tau);
 	*dsigma = d__[2] + tau;
 	delta[1] = -(del + tau);
 	delta[2] = -tau;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd6.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd6.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd6.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd6.cpp
index 53d6a6110f..162b38f3ed 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -75,13 +75,13 @@ F77_FUNC(dlasd6,DLASD6)(int *icompq,
     idxc = idx + n;
     idxp = idxc + n;
 
-    d__1 = fabs(*alpha); 
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha); 
+    d__2 = std::abs(*beta);
     orgnrm = (d__1 > d__2) ? d__1 : d__2;
     d__[*nl + 1] = 0.;
     i__1 = n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-      d__1 = fabs(d__[i__]);
+      d__1 = std::abs(d__[i__]);
 	if (d__1 > orgnrm)
 	    orgnrm = d__1;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd7.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd7.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd7.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd7.cpp
index 04c40a65a6..7434aedfbd 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd7.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd7.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -119,17 +119,17 @@ F77_FUNC(dlasd7,DLASD7)(int *icompq,
 
     eps = GMX_DOUBLE_EPS;
 
-    d__1 = fabs(*alpha);
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha);
+    d__2 = std::abs(*beta);
     tol = (d__1>d__2) ? d__1 : d__2;
-    d__2 = fabs(d__[n]);
+    d__2 = std::abs(d__[n]);
     tol = eps * 64. * ((d__2>tol) ? d__2 : tol);
 
     *k = 1;
     k2 = n + 1;
     i__1 = n;
     for (j = 2; j <= i__1; ++j) {
-	if (fabs(z__[j]) <= tol) {
+	if (std::abs(z__[j]) <= tol) {
 
 	    --k2;
 	    idxp[k2] = j;
@@ -148,13 +148,13 @@ L80:
     if (j > n) {
 	goto L90;
     }
-    if (fabs(z__[j]) <= tol) {
+    if (std::abs(z__[j]) <= tol) {
 
 	--k2;
 	idxp[k2] = j;
     } else {
 
-	if (fabs(d__[j] - d__[jprev]) <= tol) {
+	if (std::abs(d__[j] - d__[jprev]) <= tol) {
 
 	    *s = z__[jprev];
 	    *c__ = z__[j];
@@ -226,7 +226,7 @@ L100:
 
     dsigma[1] = 0.;
     hlftol = tol / 2.;
-    if (fabs(dsigma[2]) <= hlftol) {
+    if (std::abs(dsigma[2]) <= hlftol) {
 	dsigma[2] = hlftol;
     }
     if (m > n) {
@@ -242,7 +242,7 @@ L100:
 	F77_FUNC(drot,DROT)(&c__1, &vf[m], &c__1, &vf[1], &c__1, c__, s);
 	F77_FUNC(drot,DROT)(&c__1, &vl[m], &c__1, &vl[1], &c__1, c__, s);
     } else {
-	if (fabs(z1) <= tol) {
+	if (std::abs(z1) <= tol) {
 	    z__[1] = tol;
 	} else {
 	    z__[1] = z1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasd8.c b/src/gromacs/linearalgebra/gmx_lapack/dlasd8.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasd8.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasd8.cpp
index a0bae60596..5fa064d0d1 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasd8.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasd8.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -18,7 +18,6 @@ F77_FUNC(dlasd8,DLASD8)(int *icompq,
 {
     int difr_dim1, difr_offset, i__1, i__2;
     double d__2;
-    double *p1,*p2,t1,t2;
 
     int i__, j;
     double dj, rho;
@@ -47,11 +46,8 @@ F77_FUNC(dlasd8,DLASD8)(int *icompq,
 
     *info = 0;
 
-    p1 = &t1;
-    p2 = &t2;
-
     if (*k == 1) {
-	d__[1] = fabs(z__[1]);
+	d__[1] = std::abs(z__[1]);
 	difl[1] = d__[1];
 	if (*icompq == 1) {
 	    difl[2] = 1.;
@@ -60,14 +56,6 @@ F77_FUNC(dlasd8,DLASD8)(int *icompq,
 	return;
     }
 
-    i__1 = *k;
-    for (i__ = 1; i__ <= i__1; ++i__) {
-      t1 = dsigma[i__];
-      t2 = dsigma[i__];
-      /* force store and reload from memory */
-      d__2 = (*p1) + (*p2) - dsigma[i__];
-    }
-
     iwk1 = 1;
     iwk2 = iwk1 + *k;
     iwk3 = iwk2 + *k;
@@ -107,7 +95,7 @@ F77_FUNC(dlasd8,DLASD8)(int *icompq,
 
     i__1 = *k;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	d__2 = sqrt(fabs(work[iwk3i + i__]));
+	d__2 =  std::sqrt(std::abs(work[iwk3i + i__]));
 	z__[i__] = (z__[i__] > 0) ? d__2 : -d__2;
     }
 
@@ -123,19 +111,11 @@ F77_FUNC(dlasd8,DLASD8)(int *icompq,
 	work[j] = -z__[j] / diflj / (dsigma[j] + dj);
 	i__2 = j - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	  t1 = dsigma[i__];
-	  t2 = dsigj;
-	  /* force store and reload from memory */
-	  t1 = (*p1) + (*p2) - diflj;
-	  work[i__] = z__[i__] / t1 / ( dsigma[i__] + dj);
+        work[i__] = z__[i__] / (dsigma[i__] + dsigj - diflj) / ( dsigma[i__] + dj);
 	}
 	i__2 = *k;
 	for (i__ = j + 1; i__ <= i__2; ++i__) {
-	  t1 = dsigma[i__];
-	  t2 = dsigjp;
-	  /* force store and reload from memory */
-	  t1 = (*p1) + (*p2) - difrj;
-	    work[i__] = z__[i__] / t1 / (dsigma[i__] + dj);
+	    work[i__] = z__[i__] / (dsigma[i__] + dsigjp - difrj) / (dsigma[i__] + dj);
 	}
 	temp = F77_FUNC(dnrm2,DNRM2)(k, &work[1], &c__1);
 	work[iwk2i + j] = F77_FUNC(ddot,DDOT)(k, &work[1], &c__1, &vf[1], &c__1) / temp;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasda.c b/src/gromacs/linearalgebra/gmx_lapack/dlasda.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasda.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasda.cpp
index 7a42478059..bc6b903cb7 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasda.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasda.cpp
@@ -201,7 +201,6 @@ F77_FUNC(dlasda,DLASDA)(int *icompq,
 	    lf = 1;
 	    ll = 1;
 	} else {
-	    i__1 = lvl - 1;
 	    lf = (1 << (lvl-1));
 	    ll = (lf << 1) - 1;
 	}
@@ -212,7 +211,6 @@ F77_FUNC(dlasda,DLASDA)(int *icompq,
 	    nl = iwork[ndiml + im1];
 	    nr = iwork[ndimr + im1];
 	    nlf = ic - nl;
-	    nrf = ic + 1;
 	    if (i__ == ll) {
 		sqrei = *sqre;
 	    } else {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasdq.c b/src/gromacs/linearalgebra/gmx_lapack/dlasdq.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasdq.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasdq.cpp
index 379c25a5f7..c5063db87f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasdq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasdq.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -22,7 +22,7 @@ F77_FUNC(dlasdq,DLASDQ)(const char *uplo,
                         double *work, 
                         int *info)
 {
-    const char xuplo=toupper(*uplo);
+    const char xuplo=std::toupper(*uplo);
     int c_dim1, c_offset, u_dim1, u_offset, vt_dim1, vt_offset, i__1, 
 	    i__2;
     int c__1 = 1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasdt.c b/src/gromacs/linearalgebra/gmx_lapack/dlasdt.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasdt.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasdt.cpp
index 5c343f572b..92f5727c8f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasdt.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasdt.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -14,7 +14,7 @@ F77_FUNC(dlasdt,DLASDT)(int *n,
   double temp;
   int i,il,ir,llst,nlvl,ncrnt;
 
-  temp = log( ((double) maxn) / ((double)(*msub+1))) / log(2.0);
+  temp = std::log( ((double) maxn) / ((double)(*msub+1))) / std::log(2.0);
   
   *lvl = 1 + (int) temp;
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaset.c b/src/gromacs/linearalgebra/gmx_lapack/dlaset.cpp
similarity index 91%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaset.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaset.cpp
index 24508f5c0a..989c3c9ef9 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlaset.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlaset.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "../gmx_lapack.h"
 
 
@@ -12,7 +12,7 @@ F77_FUNC(dlaset,DLASET)(const char *uplo,
 	int *lda)
 {
   int i,j,k;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   if(ch=='U') {
     for(j=1;j<*n;j++) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq1.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq1.cpp
similarity index 86%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq1.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq1.cpp
index 569245e7a7..d5cc667c92 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq1.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq1.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -29,14 +29,14 @@ F77_FUNC(dlasq1,DLASQ1)(int *n,
   }
   
   for(i=0;i<*n-1;i++) {
-    d[i] = fabs(d[i]);
-    dtemp = fabs(e[i]);
+    d[i] = std::abs(d[i]);
+    dtemp = std::abs(e[i]);
     if(dtemp>sigmx)
       sigmx=dtemp;
   }
-  d[*n-1] = fabs(d[*n-1]);
+  d[*n-1] = std::abs(d[*n-1]);
   
-  if(fabs(sigmx)<GMX_DOUBLE_MIN) {
+  if(std::abs(sigmx)<GMX_DOUBLE_MIN) {
     F77_FUNC(dlasrt,DLASRT)("D",n,d,&iinfo);
     return;
   }
@@ -50,7 +50,7 @@ F77_FUNC(dlasq1,DLASQ1)(int *n,
    * Squaring input data makes scaling by a power of the
    * radix pointless.
    */
-  scale = sqrt(eps/safemin);
+  scale =  std::sqrt(eps/safemin);
   i = 1;
   j = 2;
   F77_FUNC(dcopy,DCOPY)(n,d,&i,work,&j);
@@ -74,7 +74,7 @@ F77_FUNC(dlasq1,DLASQ1)(int *n,
   k = 1;
   if(*info==0) {
     for(i=0;i<*n;i++)
-      d[i]=sqrt(work[i]);
+      d[i]= std::sqrt(work[i]);
     F77_FUNC(dlascl,DLASCL)("G",&j,&j,&scale,&sigmx,n,&k,d,n,&iinfo);
   }
   return;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq2.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq2.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq2.cpp
index fd82c33d73..90702f060e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -76,9 +76,9 @@ F77_FUNC(dlasq2,DLASQ2)(int *n,
 	    t = (z__[1] - z__[3] + z__[2]) * .5;
 	    s = z__[3] * (z__[2] / t);
 	    if (s <= t) {
-		s = z__[3] * (z__[2] / (t * (sqrt(s / t + 1.) + 1.)));
+		s = z__[3] * (z__[2] / (t * ( std::sqrt(s / t + 1.) + 1.)));
 	    } else {
-		s = z__[3] * (z__[2] / (t + sqrt(t) * sqrt(t + s)));
+		s = z__[3] * (z__[2] / (t +  std::sqrt(t) * std::sqrt(t + s)));
 	    }
 	    t = z__[1] + (s + z__[2]);
 	    z__[3] *= z__[1] / t;
@@ -121,9 +121,8 @@ F77_FUNC(dlasq2,DLASQ2)(int *n,
     d__ += z__[(*n << 1) - 1];
     d__1 = qmax, d__2 = z__[(*n << 1) - 1];
     qmax = (d__1>d__2) ? d__1 : d__2;
-    zmax = (qmax>zmax) ? qmax : zmax;
 
-    if (fabs(e)<GMX_DOUBLE_MIN) {
+    if (std::abs(e)<GMX_DOUBLE_MIN) {
 	i__1 = *n;
 	for (k = 2; k <= i__1; ++k) {
 	    z__[k] = z__[(k << 1) - 1];
@@ -135,7 +134,7 @@ F77_FUNC(dlasq2,DLASQ2)(int *n,
 
     trace = d__ + e;
 
-    if (fabs(trace)<GMX_DOUBLE_MIN) {
+    if (std::abs(trace)<GMX_DOUBLE_MIN) {
 	z__[(*n << 1) - 1] = 0.;
 	return;
     }
@@ -148,13 +147,13 @@ F77_FUNC(dlasq2,DLASQ2)(int *n,
     if(neginf>=0.0)
       ieee = 0;
     negzro = one/(neginf+one);
-    if(fabs(negzro)>GMX_DOUBLE_MIN)
+    if(std::abs(negzro)>GMX_DOUBLE_MIN)
       ieee = 0;
     neginf = one/negzro;
     if(neginf>=0)
       ieee = 0;
     newzro = negzro + zero;
-    if(fabs(newzro-zero)>GMX_DOUBLE_MIN)
+    if(std::abs(newzro-zero)>GMX_DOUBLE_MIN)
       ieee = 0;
     posinf = one /newzro;
     if(posinf<=one)
@@ -263,7 +262,7 @@ F77_FUNC(dlasq2,DLASQ2)(int *n,
 
 	emax = 0.;
 	if (n0 > i0) {
-	    emin = fabs(z__[(n0 << 2) - 5]);
+	    emin = std::abs(z__[(n0 << 2) - 5]);
 	} else {
 	    emin = 0.;
 	}
@@ -325,7 +324,7 @@ L100:
 	}
 
 
-	d__1 = 0., d__2 = qmin - sqrt(qmin) * 2. * sqrt(emax);
+	d__1 = 0., d__2 = qmin -  std::sqrt(qmin) * 2. * std::sqrt(emax);
 	dmin__ = -((d__1>d__2) ? d__1 : d__2);
 
 	nbig = (n0 - i0 + 1) * 30;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq3.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq3.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq3.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq3.cpp
index ccd05b1d74..33105b6411 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq3.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq3.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -85,9 +85,9 @@ L40:
 	t = (z__[nn - 7] - z__[nn - 3] + z__[nn - 5]) * .5;
 	s = z__[nn - 3] * (z__[nn - 5] / t);
 	if (s <= t) {
-	    s = z__[nn - 3] * (z__[nn - 5] / (t * (sqrt(s / t + 1.) + 1.)));
+	    s = z__[nn - 3] * (z__[nn - 5] / (t * ( std::sqrt(s / t + 1.) + 1.)));
 	} else {
-	    s = z__[nn - 3] * (z__[nn - 5] / (t + sqrt(t) * sqrt(t + s)));
+	    s = z__[nn - 3] * (z__[nn - 5] / (t +  std::sqrt(t) * std::sqrt(t + s)));
 	}
 	t = z__[nn - 7] + (s + z__[nn - 5]);
 	z__[nn - 3] *= z__[nn - 7] / t;
@@ -159,7 +159,7 @@ L70:
 	goto L90;
 
     } else if (*dmin__ < 0. && dmin1 > 0. && z__[4*(*n0 - 1) - *pp] < tol *
-	     (*sigma + dn1) && fabs(dn) < tol * *sigma) {
+	     (*sigma + dn1) && std::abs(dn) < tol * *sigma) {
 
 	z__[4*(*n0 - 1) - *pp + 2] = 0.;
 	*dmin__ = 0.;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq4.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq4.cpp
similarity index 78%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq4.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq4.cpp
index a9830da008..067df72198 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq4.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq4.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -38,15 +38,15 @@ F77_FUNC(dlasq4,DLASQ4)(int *i0,
     nn = (*n0 << 2) + *pp;
     if (*n0in == *n0) {
 
-	if ( fabs(*dmin__ - *dn)<GMX_DOUBLE_EPS*fabs(*dmin__ + *dn) ||
-         fabs(*dmin__ - *dn1)<GMX_DOUBLE_EPS*fabs(*dmin__ + *dn1)) {
+	if ( std::abs(*dmin__ - *dn)<GMX_DOUBLE_EPS*std::abs(*dmin__ + *dn) ||
+         std::abs(*dmin__ - *dn1)<GMX_DOUBLE_EPS*std::abs(*dmin__ + *dn1)) {
 
-	    b1 = sqrt(z__[nn - 3]) * sqrt(z__[nn - 5]);
-	    b2 = sqrt(z__[nn - 7]) * sqrt(z__[nn - 9]);
+	    b1 =  std::sqrt(z__[nn - 3]) * std::sqrt(z__[nn - 5]);
+	    b2 =  std::sqrt(z__[nn - 7]) * std::sqrt(z__[nn - 9]);
 	    a2 = z__[nn - 7] + z__[nn - 5];
 
-        if ( fabs(*dmin__ - *dn)<GMX_DOUBLE_EPS*fabs(*dmin__ + *dn) &&
-             fabs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*fabs(*dmin1 + *dn1)) {
+        if ( std::abs(*dmin__ - *dn)<GMX_DOUBLE_EPS*std::abs(*dmin__ + *dn) &&
+             std::abs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*std::abs(*dmin1 + *dn1)) {
 
             gap2 = *dmin2 - a2 - *dmin2 * .25;
 		if (gap2 > 0. && gap2 > b2) {
@@ -76,7 +76,7 @@ F77_FUNC(dlasq4,DLASQ4)(int *i0,
 
 		*ttype = -4;
 		s = *dmin__ * .25;
-		if (fabs(*dmin__ - *dn)<GMX_DOUBLE_EPS*fabs(*dmin__ + *dn)) {
+		if (std::abs(*dmin__ - *dn)<GMX_DOUBLE_EPS*std::abs(*dmin__ + *dn)) {
 		    gam = *dn;
 		    a2 = 0.;
 		    if (z__[nn - 5] > z__[nn - 7]) {
@@ -86,7 +86,6 @@ F77_FUNC(dlasq4,DLASQ4)(int *i0,
 		    np = nn - 9;
 		} else {
 		    np = nn - (*pp << 1);
-		    b2 = z__[np - 2];
 		    gam = *dn1;
 		    if (z__[np - 4] > z__[np - 2]) {
 			return;
@@ -103,7 +102,7 @@ F77_FUNC(dlasq4,DLASQ4)(int *i0,
 		a2 += b2;
 		i__1 = (*i0 << 2) - 1 + *pp;
 		for (i4 = np; i4 >= i__1; i4 += -4) {
-		    if (fabs(b2)<GMX_DOUBLE_MIN) {
+		    if (std::abs(b2)<GMX_DOUBLE_MIN) {
 			goto L20;
 		    }
 		    b1 = b2;
@@ -121,10 +120,10 @@ L20:
 
 
 		if (a2 < .563) {
-		    s = gam * (1. - sqrt(a2)) / (a2 + 1.);
+		    s = gam * (1. -  std::sqrt(a2)) / (a2 + 1.);
 		}
 	    }
-	} else if (fabs(*dmin__ - *dn2)<GMX_DOUBLE_EPS*fabs(*dmin__ + *dn2)) {
+	} else if (std::abs(*dmin__ - *dn2)<GMX_DOUBLE_EPS*std::abs(*dmin__ + *dn2)) {
 
 	    *ttype = -5;
 	    s = *dmin__ * .25;
@@ -144,7 +143,7 @@ L20:
 		a2 += b2;
 		i__1 = (*i0 << 2) - 1 + *pp;
 		for (i4 = nn - 17; i4 >= i__1; i4 += -4) {
-		    if (fabs(b2)<GMX_DOUBLE_MIN) {
+		    if (std::abs(b2)<GMX_DOUBLE_MIN) {
 			goto L40;
 		    }
 		    b1 = b2;
@@ -162,7 +161,7 @@ L40:
 	    }
 
 	    if (a2 < .563) {
-		s = gam * (1. - sqrt(a2)) / (a2 + 1.);
+		s = gam * (1. -  std::sqrt(a2)) / (a2 + 1.);
 	    }
 	} else {
 
@@ -179,8 +178,8 @@ L40:
 
     } else if (*n0in == *n0 + 1) {
 
-        if ( fabs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*fabs(*dmin1 + *dn1) &&
-             fabs(*dmin2 - *dn2)<GMX_DOUBLE_EPS*fabs(*dmin2 + *dn2)) {
+        if ( std::abs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*std::abs(*dmin1 + *dn1) &&
+             std::abs(*dmin2 - *dn2)<GMX_DOUBLE_EPS*std::abs(*dmin2 + *dn2)) {
 
 	    *ttype = -7;
 	    s = *dmin1 * .333;
@@ -189,7 +188,7 @@ L40:
 	    }
 	    b1 = z__[nn - 5] / z__[nn - 7];
 	    b2 = b1;
-	    if (fabs(b2)<GMX_DOUBLE_MIN) {
+	    if (std::abs(b2)<GMX_DOUBLE_MIN) {
 		goto L60;
 	    }
 	    i__1 = (*i0 << 2) - 1 + *pp;
@@ -205,7 +204,7 @@ L40:
 		}
 	    }
 L60:
-	    b2 = sqrt(b2 * 1.05);
+	    b2 =  std::sqrt(b2 * 1.05);
 	    d__1 = b2;
 	    a2 = *dmin1 / (d__1 * d__1 + 1.);
 	    gap2 = *dmin2 * .5 - a2;
@@ -220,7 +219,7 @@ L60:
 	} else {
 
 	    s = *dmin1 * .25;
-	    if (fabs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*fabs(*dmin1 + *dn1)) {
+	    if (std::abs(*dmin1 - *dn1)<GMX_DOUBLE_EPS*std::abs(*dmin1 + *dn1)) {
 		s = *dmin1 * .5;
 	    }
 	    *ttype = -9;
@@ -228,7 +227,7 @@ L60:
 
     } else if (*n0in == *n0 + 2) {
 
-	if (fabs(*dmin2 - *dn2)<GMX_DOUBLE_EPS*fabs(*dmin2 + *dn2) &&
+	if (std::abs(*dmin2 - *dn2)<GMX_DOUBLE_EPS*std::abs(*dmin2 + *dn2) &&
         z__[nn - 5] * 2. < z__[nn - 7]) {
 	    *ttype = -10;
 	    s = *dmin2 * .333;
@@ -237,7 +236,7 @@ L60:
 	    }
 	    b1 = z__[nn - 5] / z__[nn - 7];
 	    b2 = b1;
-	    if (fabs(b2)<GMX_DOUBLE_MIN) {
+	    if (std::abs(b2)<GMX_DOUBLE_MIN) {
 		goto L80;
 	    }
 	    i__1 = (*i0 << 2) - 1 + *pp;
@@ -252,10 +251,10 @@ L60:
 		}
 	    }
 L80:
-	    b2 = sqrt(b2 * 1.05);
+	    b2 =  std::sqrt(b2 * 1.05);
 	    d__1 = b2;
 	    a2 = *dmin2 / (d__1 * d__1 + 1.);
-	    gap2 = z__[nn - 7] + z__[nn - 9] - sqrt(z__[nn - 11]) * sqrt(z__[
+	    gap2 = z__[nn - 7] + z__[nn - 9] -  std::sqrt(z__[nn - 11]) * std::sqrt(z__[
 		    nn - 9]) - a2;
 	    if (gap2 > 0. && gap2 > b2 * a2) {
 		d__1 = s, d__2 = a2 * (1. - a2 * 1.01 * (b2 / gap2) * b2);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq5.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq5.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq5.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq5.cpp
index 853a86a602..5ecf879311 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq5.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq5.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasq6.c b/src/gromacs/linearalgebra/gmx_lapack/dlasq6.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasq6.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasq6.cpp
index f06101991f..30f52aafa7 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasq6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasq6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -40,7 +40,7 @@ F77_FUNC(dlasq6,DLASQ6)(int *i0,
 	i__1 = 4*(*n0 - 3);
 	for (j4 = *i0*4; j4 <= i__1; j4 += 4) {
 	    z__[j4 - 2] = d__ + z__[j4 - 1];
-	    if (fabs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
+	    if (std::abs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
 		z__[j4] = 0.;
 		d__ = z__[j4 + 1];
 		*dmin__ = d__;
@@ -64,7 +64,7 @@ F77_FUNC(dlasq6,DLASQ6)(int *i0,
 	i__1 = 4*(*n0 - 3);
 	for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
 	    z__[j4 - 3] = d__ + z__[j4];
-	    if (fabs(z__[j4 - 3])<GMX_DOUBLE_MIN) {
+	    if (std::abs(z__[j4 - 3])<GMX_DOUBLE_MIN) {
 		z__[j4 - 1] = 0.;
 		d__ = z__[j4 + 2];
 		*dmin__ = d__;
@@ -90,7 +90,7 @@ F77_FUNC(dlasq6,DLASQ6)(int *i0,
     j4 = 4*(*n0 - 2) - *pp;
     j4p2 = j4 + (*pp << 1) - 1;
     z__[j4 - 2] = *dnm2 + z__[j4p2];
-    if (fabs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
+    if (std::abs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
 	z__[j4] = 0.;
 	*dnm1 = z__[j4p2 + 2];
 	*dmin__ = *dnm1;
@@ -111,7 +111,7 @@ F77_FUNC(dlasq6,DLASQ6)(int *i0,
     j4 += 4;
     j4p2 = j4 + (*pp << 1) - 1;
     z__[j4 - 2] = *dnm1 + z__[j4p2];
-    if (fabs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
+    if (std::abs(z__[j4 - 2])<GMX_DOUBLE_MIN) {
 	z__[j4] = 0.;
 	*dn = z__[j4p2 + 2];
 	*dmin__ = *dn;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasr.c b/src/gromacs/linearalgebra/gmx_lapack/dlasr.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasr.cpp
index dbec294b53..0a58de9b34 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_lapack.h"
@@ -18,7 +18,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
     int a_dim1, a_offset, i__1, i__2;
 
     /* Local variables */
-    int i__, j, info;
+    int i__, j;
     double temp;
     double ctemp, stemp;
 
@@ -29,7 +29,6 @@ F77_FUNC(dlasr,DLASR)(const char *side,
     a -= a_offset;
 
     /* Function Body */
-    info = 0;
 
     if (*m == 0 || *n == 0) {
 	return;
@@ -42,7 +41,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + 1 + i__ * a_dim1];
@@ -57,7 +56,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *m - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + 1 + i__ * a_dim1];
@@ -75,7 +74,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 2; j <= i__1; ++j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -90,7 +89,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *m; j >= 2; --j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -108,7 +107,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -123,7 +122,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *m - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -144,7 +143,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + (j + 1) * a_dim1];
@@ -159,7 +158,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *n - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + (j + 1) * a_dim1];
@@ -177,7 +176,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 2; j <= i__1; ++j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -192,7 +191,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *n; j >= 2; --j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -210,7 +209,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -225,7 +224,7 @@ F77_FUNC(dlasr,DLASR)(const char *side,
 		for (j = *n - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_DOUBLE_EPS || fabs(stemp)>GMX_DOUBLE_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_DOUBLE_EPS || std::abs(stemp)>GMX_DOUBLE_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + j * a_dim1];
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasrt.c b/src/gromacs/linearalgebra/gmx_lapack/dlasrt.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasrt.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasrt.cpp
index 1fb85a2935..31ea7cd189 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasrt.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasrt.cpp
@@ -33,7 +33,6 @@ F77_FUNC(dlasrt,DLASRT)(const char *id,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
     if (*n <= 1) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasrt2.c b/src/gromacs/linearalgebra/gmx_lapack/dlasrt2.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasrt2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasrt2.cpp
index 2b30d5c22e..d1f2a1c073 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasrt2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasrt2.cpp
@@ -34,8 +34,7 @@ void F77_FUNC(dlasrt2,DLASRT2)(const char *id,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
-	return;
+        return;
     }
 
     if (*n <= 1) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlassq.c b/src/gromacs/linearalgebra/gmx_lapack/dlassq.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_lapack/dlassq.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlassq.cpp
index 74b22ae67b..8ffc508b3a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlassq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlassq.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 #include "../gmx_lapack.h"
 
@@ -14,8 +14,8 @@ F77_FUNC(dlassq,DLASSQ)(int *n,
 
   if(*n>0) {
     for(ix=0;ix<=(*n-1)*(*incx);ix+=*incx) {
-      if(fabs(x[ix])>GMX_DOUBLE_MIN) {
-	absxi = fabs(x[ix]);
+      if(std::abs(x[ix])>GMX_DOUBLE_MIN) {
+	absxi = std::abs(x[ix]);
 	if(*scale<absxi) {
 	  t = *scale/absxi;
 	  t = t*t;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlasv2.c b/src/gromacs/linearalgebra/gmx_lapack/dlasv2.cpp
similarity index 84%
rename from src/gromacs/linearalgebra/gmx_lapack/dlasv2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlasv2.cpp
index fc89932cb7..80ad6074d5 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlasv2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlasv2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -26,9 +26,9 @@ F77_FUNC(dlasv2,DLASV2)(double *f,
     int gasmal;
 
     ft = *f;
-    fa = fabs(ft);
+    fa = std::abs(ft);
     ht = *h__;
-    ha = fabs(*h__);
+    ha = std::abs(*h__);
 
     pmax = 1;
     swap = ha > fa;
@@ -43,8 +43,8 @@ F77_FUNC(dlasv2,DLASV2)(double *f,
 
     }
     gt = *g;
-    ga = fabs(gt);
-    if (fabs(ga)<GMX_DOUBLE_MIN) {
+    ga = std::abs(gt);
+    if (std::abs(ga)<GMX_DOUBLE_MIN) {
 
 	*ssmin = ha;
 	*ssmax = fa;
@@ -74,7 +74,7 @@ F77_FUNC(dlasv2,DLASV2)(double *f,
 	if (gasmal) {
 
 	    d__ = fa - ha;
-	    if ( fabs( fa - d__ )<GMX_DOUBLE_EPS*fabs( fa + d__ )) {
+	    if ( std::abs( fa - d__ )<GMX_DOUBLE_EPS*std::abs( fa + d__ )) {
 		l = 1.;
 	    } else {
 		l = d__ / fa;
@@ -85,20 +85,20 @@ F77_FUNC(dlasv2,DLASV2)(double *f,
 
 	    mm = m * m;
 	    tt = t * t;
-	    s = sqrt(tt + mm);
+	    s =  std::sqrt(tt + mm);
 
-	    if ( fabs(l)<GMX_DOUBLE_MIN) {
-		r__ = fabs(m);
+	    if ( std::abs(l)<GMX_DOUBLE_MIN) {
+		r__ = std::abs(m);
 	    } else {
-		r__ = sqrt(l * l + mm);
+		r__ =  std::sqrt(l * l + mm);
 	    }
 	    a = (s + r__) * .5;
 
 	    *ssmin = ha / a;
 	    *ssmax = fa * a;
-	    if ( fabs(mm)<GMX_DOUBLE_MIN) {
+	    if ( std::abs(mm)<GMX_DOUBLE_MIN) {
 
-		if (fabs(l)<GMX_DOUBLE_MIN) {
+		if (std::abs(l)<GMX_DOUBLE_MIN) {
 		    t = ( (ft>0) ? 2.0 : -2.0) * ( (gt>0) ? 1.0 : -1.0);
 		} else {
 		    t = gt / ( (ft>0) ? d__ : d__) + m / t;
@@ -106,7 +106,7 @@ F77_FUNC(dlasv2,DLASV2)(double *f,
 	    } else {
 		t = (m / (s + t) + m / (r__ + l)) * (a + 1.);
 	    }
-	    l = sqrt(t * t + 4.);
+	    l =  std::sqrt(t * t + 4.);
 	    crt = 2. / l;
 	    srt = t / l;
 	    clt = (crt + srt * m) / a;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlaswp.c b/src/gromacs/linearalgebra/gmx_lapack/dlaswp.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dlaswp.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlaswp.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dlatrd.c b/src/gromacs/linearalgebra/gmx_lapack/dlatrd.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dlatrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/dlatrd.cpp
index ed7e43eaf7..7f848c54cf 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dlatrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dlatrd.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -18,7 +18,7 @@ F77_FUNC(dlatrd,DLATRD)(const char *  uplo,
   int i,iw;
   int ti1,ti2,ti3;
   double one,zero,minusone,alpha;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   one=1.0;
   minusone=-1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorg2r.c b/src/gromacs/linearalgebra/gmx_lapack/dorg2r.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dorg2r.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorg2r.cpp
index 3681f46dc9..1cdf7d032f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dorg2r.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dorg2r.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorgbr.c b/src/gromacs/linearalgebra/gmx_lapack/dorgbr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dorgbr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorgbr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorgl2.c b/src/gromacs/linearalgebra/gmx_lapack/dorgl2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dorgl2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorgl2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorglq.c b/src/gromacs/linearalgebra/gmx_lapack/dorglq.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dorglq.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorglq.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorgqr.c b/src/gromacs/linearalgebra/gmx_lapack/dorgqr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dorgqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorgqr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorm2l.c b/src/gromacs/linearalgebra/gmx_lapack/dorm2l.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dorm2l.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorm2l.cpp
index da1ac9797d..10f93725aa 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dorm2l.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dorm2l.cpp
@@ -42,7 +42,6 @@ F77_FUNC(dorm2l,DORM2L)(const char *side,
 	nq = *n;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorm2r.c b/src/gromacs/linearalgebra/gmx_lapack/dorm2r.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dorm2r.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorm2r.cpp
index 32f3540fb2..16145d3681 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dorm2r.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dorm2r.cpp
@@ -16,7 +16,7 @@ F77_FUNC(dorm2r,DORM2R)(const char *side,
 {
     int a_dim1, a_offset, c_dim1, c_offset, i__1, i__2;
 
-    int i__, i1, i2, i3, ic, jc, mi, ni, nq;
+    int i__, i1, i2, i3, ic, jc, mi, ni;
     double aii;
     int left;
     int notran;
@@ -36,12 +36,6 @@ F77_FUNC(dorm2r,DORM2R)(const char *side,
 
     ic = jc = 0;
 
-    if (left) {
-	nq = *m;
-    } else {
-	nq = *n;
-    }
-
     if (*m <= 0 || *n <= 0 || *k <= 0) {
 	return;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dormbr.c b/src/gromacs/linearalgebra/gmx_lapack/dormbr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dormbr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dormbr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dorml2.c b/src/gromacs/linearalgebra/gmx_lapack/dorml2.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_lapack/dorml2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dorml2.cpp
index b50a1f489e..c3f1d5f52c 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dorml2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dorml2.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "../gmx_lapack.h"
 #include "gromacs/utility/real.h"
 
@@ -16,8 +16,8 @@ F77_FUNC(dorml2,DORML2)(const char *side,
 	double *work,
     int gmx_unused *info)
 {
-  const char xside=toupper(*side);
-  const char xtrans=toupper(*trans);
+  const char xside=std::toupper(*side);
+  const char xtrans=std::toupper(*trans);
   int i,i1,i2,i3,ni,mi,ic,jc;
   double aii;
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dormlq.c b/src/gromacs/linearalgebra/gmx_lapack/dormlq.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dormlq.c
rename to src/gromacs/linearalgebra/gmx_lapack/dormlq.cpp
index 8da339e687..633ab90040 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dormlq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dormlq.cpp
@@ -62,7 +62,6 @@ F77_FUNC(dormlq,DORMLQ)(const char *side,
     work[1] = (double) lwkopt;
     
     if (*info != 0) {
-	i__1 = -(*info);
        	return;
     } else if (lquery) {
 	return;
@@ -81,8 +80,6 @@ F77_FUNC(dormlq,DORMLQ)(const char *side,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMLQ_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dormql.c b/src/gromacs/linearalgebra/gmx_lapack/dormql.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dormql.c
rename to src/gromacs/linearalgebra/gmx_lapack/dormql.cpp
index 7449e502e0..217f04d9bf 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dormql.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dormql.cpp
@@ -46,7 +46,6 @@ F77_FUNC(dormql,DORMQL)(const char *side, const char *trans, int *m, int *n,
     work[1] = (double) lwkopt;
     
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     } else if (lquery) {
 	return;
@@ -65,8 +64,6 @@ F77_FUNC(dormql,DORMQL)(const char *side, const char *trans, int *m, int *n,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMQL_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dormqr.c b/src/gromacs/linearalgebra/gmx_lapack/dormqr.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/dormqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dormqr.cpp
index 75f2cdc91e..f90750cdb8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dormqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dormqr.cpp
@@ -56,7 +56,6 @@ F77_FUNC(dormqr,DORMQR)(const char *side,
      work[1] = (double) lwkopt;
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     } else if (lquery) {
       return;
@@ -75,8 +74,6 @@ F77_FUNC(dormqr,DORMQR)(const char *side,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMQR_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dormtr.c b/src/gromacs/linearalgebra/gmx_lapack/dormtr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dormtr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dormtr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dstebz.c b/src/gromacs/linearalgebra/gmx_lapack/dstebz.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/dstebz.c
rename to src/gromacs/linearalgebra/gmx_lapack/dstebz.cpp
index 7cb421e826..0b3004b069 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dstebz.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dstebz.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -102,7 +102,6 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
     }
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -147,7 +146,7 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 	d__1 = e[j - 1];
 	tmp1 = d__1 * d__1;
 	d__2 = ulp;
-	if (fabs(d__[j] * d__[j - 1]) * (d__2 * d__2) + safemn 
+	if (std::abs(d__[j] * d__[j - 1]) * (d__2 * d__2) + safemn 
 		> tmp1) {
 	    isplit[*nsplit] = j - 1;
 	    ++(*nsplit);
@@ -168,7 +167,7 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 
 	i__1 = *n - 1;
 	for (j = 1; j <= i__1; ++j) {
-	    tmp2 = sqrt(work[j]);
+	    tmp2 =  std::sqrt(work[j]);
 	    d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
 	    gu = (d__1>d__2) ? d__1 : d__2;
 	    d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
@@ -180,13 +179,13 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 	gu = (d__1>d__2) ? d__1 : d__2;
 	d__1 = gl, d__2 = d__[*n] - tmp1;
 	gl = (d__1<d__2) ? d__1 : d__2;
-	d__1 = fabs(gl);
-	d__2 = fabs(gu);
+	d__1 = std::abs(gl);
+	d__2 = std::abs(gu);
 	tnorm = (d__1>d__2) ? d__1 : d__2;
 	gl = gl - tnorm * 2. * ulp * *n - pivmin * 4.;
 	gu = gu + tnorm * 2. * ulp * *n + pivmin * 2.;
 
-	itmax = (int) ((log(tnorm + pivmin) - log(pivmin)) / log(2.)) + 2;
+	itmax = (int) ((std::log(tnorm + pivmin) - std::log(pivmin)) / std::log(2.)) + 2;
 	if (*abstol <= 0.) {
 	    atoli = ulp * tnorm;
 	} else {
@@ -236,14 +235,14 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
       /* avoid warnings for high gcc optimization */
       wlu = wul = 1.0;
 
-	d__3 = fabs(d__[1]) + fabs(e[1]);
-	d__4 = fabs(d__[*n]) + fabs(e[*n - 1]);
+	d__3 = std::abs(d__[1]) + std::abs(e[1]);
+	d__4 = std::abs(d__[*n]) + std::abs(e[*n - 1]);
 	tnorm = (d__3>d__4) ? d__3 : d__4;
 
 	i__1 = *n - 1;
 	for (j = 2; j <= i__1; ++j) {
 	    d__4 = tnorm;
-	    d__5 = fabs(d__[j]) + fabs(e[j - 1]) + fabs(e[j]);
+	    d__5 = std::abs(d__[j]) + std::abs(e[j - 1]) + std::abs(e[j]);
 	    tnorm = (d__4>d__5) ? d__4 : d__5;
 	}
 
@@ -296,7 +295,7 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 
 	    i__2 = iend - 1;
 	    for (j = ibegin; j <= i__2; ++j) {
-		tmp2 = fabs(e[j]);
+		tmp2 = std::abs(e[j]);
 		d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
 		gu = (d__1>d__2) ? d__1 : d__2;
 		d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
@@ -308,15 +307,15 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 	    gu = (d__1>d__2) ? d__1 : d__2;
 	    d__1 = gl, d__2 = d__[iend] - tmp1;
 	    gl = (d__1<d__2) ? d__1 : d__2;
-	    d__1 = fabs(gl);
-	    d__2 = fabs(gu);
+	    d__1 = std::abs(gl);
+	    d__2 = std::abs(gu);
 	    bnorm = (d__1>d__2) ? d__1 : d__2;
 	    gl = gl - bnorm * 2. * ulp * in - pivmin * 2.;
 	    gu = gu + bnorm * 2. * ulp * in + pivmin * 2.;
 
 	    if (*abstol <= 0.) {
-		d__1 = fabs(gl);
-		d__2 = fabs(gu);
+		d__1 = std::abs(gl);
+		d__2 = std::abs(gu);
 		atoli = ulp * ((d__1>d__2) ? d__1 : d__2);
 	    } else {
 		atoli = *abstol;
@@ -345,7 +344,7 @@ F77_FUNC(dstebz,DSTEBZ)(const char *range,
 	    nwu += iwork[in + 1];
 	    iwoff = *m - iwork[1];
 
-	    itmax = (int) ((log(gu - gl + pivmin) - log(pivmin)) / log(2.)
+	    itmax = (int) ((std::log(gu - gl + pivmin) - std::log(pivmin)) / std::log(2.)
 		    ) + 2;
 	    F77_FUNC(dlaebz,DLAEBZ)(&c__2, &itmax, &in, &in, &c__1, &nb, &atoli, &rtoli, &
 		    pivmin, &d__[ibegin], &e[ibegin], &work[ibegin], idumma, &
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dstegr.c b/src/gromacs/linearalgebra/gmx_lapack/dstegr.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/dstegr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dstegr.cpp
index dbfa8eb7e3..b0657c7633 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dstegr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dstegr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -128,8 +128,8 @@ F77_FUNC(dstegr,DSTEGR)(const char *jobz,
     eps = GMX_DOUBLE_EPS;
     smlnum = safmin / eps;
     bignum = 1. / smlnum;
-    rmin = sqrt(smlnum);
-    d__1 = sqrt(bignum), d__2 = 1. / sqrt(sqrt(safmin));
+    rmin =  std::sqrt(smlnum);
+    d__1 =  std::sqrt(bignum), d__2 = 1. / std::sqrt(sqrt(safmin));
     rmax = (d__1<d__2) ? d__1 : d__2;
     scale = 1.;
     tnrm = F77_FUNC(dlanst,DLANST)("M", n, &d__[1], &e[1]);
@@ -138,7 +138,7 @@ F77_FUNC(dstegr,DSTEGR)(const char *jobz,
     } else if (tnrm > rmax) {
 	scale = rmax / tnrm;
     }
-    if ( fabs(scale-1.0)>GMX_DOUBLE_EPS) {
+    if ( std::abs(scale-1.0)>GMX_DOUBLE_EPS) {
 	F77_FUNC(dscal,DSCAL)(n, &scale, &d__[1], &c__1);
 	i__1 = *n - 1;
 	F77_FUNC(dscal,DSCAL)(&i__1, &scale, &e[1], &c__1);
@@ -180,7 +180,7 @@ F77_FUNC(dstegr,DSTEGR)(const char *jobz,
 	w[j] += e[iwork[iinspl + itmp - 1]];
     } 
 
-    if (fabs(scale-1.0)>GMX_DOUBLE_EPS) {
+    if (std::abs(scale-1.0)>GMX_DOUBLE_EPS) {
 	d__1 = 1. / scale;
 	F77_FUNC(dscal,DSCAL)(m, &d__1, &w[1], &c__1);
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dstein.c b/src/gromacs/linearalgebra/gmx_lapack/dstein.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dstein.c
rename to src/gromacs/linearalgebra/gmx_lapack/dstein.cpp
index 52a3e2437b..95bc8f185f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dstein.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dstein.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -81,7 +81,6 @@ F77_FUNC(dstein,DSTEIN)(int *n,
     }
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -120,19 +119,19 @@ F77_FUNC(dstein,DSTEIN)(int *n,
 	}
 	gpind = b1;
 
-	onenrm = fabs(d__[b1]) + fabs(e[b1]);
+	onenrm = std::abs(d__[b1]) + std::abs(e[b1]);
 	d__3 = onenrm;
-	d__4 = fabs(d__[bn]) + fabs(e[bn - 1]);
+	d__4 = std::abs(d__[bn]) + std::abs(e[bn - 1]);
 	onenrm = (d__3>d__4) ? d__3 : d__4;
 	i__2 = bn - 1;
 	for (i__ = b1 + 1; i__ <= i__2; ++i__) {
 	  d__4 = onenrm;
-	  d__5 = fabs(d__[i__]) + fabs(e[i__ - 1]) + fabs(e[i__]);
+	  d__5 = std::abs(d__[i__]) + std::abs(e[i__ - 1]) + std::abs(e[i__]);
 	    onenrm = (d__4>d__5) ? d__4 : d__5;
 	}
 	ortol = onenrm * .001;
 
-	dtpcrt = sqrt(.1 / blksiz);
+	dtpcrt =  std::sqrt(.1 / blksiz);
 
 	jblk = 0;
 	i__2 = *m;
@@ -150,7 +149,7 @@ F77_FUNC(dstein,DSTEIN)(int *n,
 	    }
 
 	    if (jblk > 1) {
-		eps1 = fabs(eps * xj);
+		eps1 = std::abs(eps * xj);
 		pertol = eps1 * 10.;
 		sep = xj - xjm;
 		if (sep < pertol) {
@@ -180,7 +179,7 @@ L70:
 	    }
 
 	    d__2 = eps;
-	    d__3 = fabs(work[indrv4 + blksiz]);
+	    d__3 = std::abs(work[indrv4 + blksiz]);
 	    scl = blksiz * onenrm * ((d__2>d__3) ? d__2 : d__3) / F77_FUNC(dasum,DASUM)(&blksiz, &work[
 		    indrv1 + 1], &c__1);
 	    F77_FUNC(dscal,DSCAL)(&blksiz, &scl, &work[indrv1 + 1], &c__1);
@@ -192,7 +191,7 @@ L70:
 	    if (jblk == 1) {
 		goto L90;
 	    }
-	    if (fabs(xj - xjm) > ortol) {
+	    if (std::abs(xj - xjm) > ortol) {
 		gpind = j;
 	    }
 	    if (gpind != j) {
@@ -207,7 +206,7 @@ L70:
 
 L90:
 	    jmax = F77_FUNC(idamax,IDAMAX)(&blksiz, &work[indrv1 + 1], &c__1);
-	    nrm = fabs(work[indrv1 + jmax]);
+	    nrm = std::abs(work[indrv1 + jmax]);
 
 	    if (nrm < dtpcrt) {
 		goto L70;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dsteqr.c b/src/gromacs/linearalgebra/gmx_lapack/dsteqr.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dsteqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dsteqr.cpp
index ead523ba54..57edb93936 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dsteqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dsteqr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -90,8 +90,8 @@ F77_FUNC(dsteqr,DSTEQR)(const char *    compz,
     safmin = minval*(1.0+GMX_DOUBLE_EPS);
 
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax =  std::sqrt(safmax) / 3.;
+    ssfmin =  std::sqrt(safmin) / eps2;
 
     if (icompz == 2) {
 	F77_FUNC(dlaset,DLASET)("Full", n, n, &c_b9, &c_b10, &z__[z_offset], ldz);
@@ -113,11 +113,11 @@ L10:
     if (l1 <= nm1) {
 	i__1 = nm1;
 	for (m = l1; m <= i__1; ++m) {
-	    tst = fabs(e[m]);
-	    if (fabs(tst)<GMX_DOUBLE_MIN) {
+	    tst = std::abs(e[m]);
+	    if (std::abs(tst)<GMX_DOUBLE_MIN) {
 		goto L30;
 	    }
-	    if (tst <= sqrt(fabs(d__[m])) * sqrt(fabs(d__[m + 1])) * eps) {
+	    if (tst <=  std::sqrt(std::abs(d__[m])) * std::sqrt(std::abs(d__[m + 1])) * eps) {
 		e[m] = 0.;
 		goto L30;
 	    }
@@ -138,7 +138,7 @@ L30:
     i__1 = lend - l + 1;
     anorm = F77_FUNC(dlanst,DLANST)("I", &i__1, &d__[l], &e[l]);
     iscale = 0;
-    if (fabs(anorm)<GMX_DOUBLE_MIN) {
+    if (std::abs(anorm)<GMX_DOUBLE_MIN) {
 	goto L10;
     }
     if (anorm > ssfmax) {
@@ -159,7 +159,7 @@ L30:
 		info);
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l])) {
+    if (std::abs(d__[lend]) < std::abs(d__[l])) {
 	lend = lsv;
 	l = lendsv;
     }
@@ -171,9 +171,9 @@ L40:
 	    lendm1 = lend - 1;
 	    i__1 = lendm1;
 	    for (m = l; m <= i__1; ++m) {
-  	        d__2 = fabs(e[m]);
+  	        d__2 = std::abs(e[m]);
 		tst = d__2 * d__2;
-		if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m+ 1]) + safmin) {
+		if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m+ 1]) + safmin) {
 		    goto L60;
 		}
 	    }
@@ -270,9 +270,9 @@ L90:
 	    lendp1 = lend + 1;
 	    i__1 = lendp1;
 	    for (m = l; m >= i__1; --m) {
-		d__2 = fabs(e[m - 1]);
+		d__2 = std::abs(e[m - 1]);
 		tst = d__2 * d__2;
-		if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m- 1]) + safmin) {
+		if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m- 1]) + safmin) {
 		    goto L110;
 		}
 	    }
@@ -386,7 +386,7 @@ L140:
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__])>GMX_DOUBLE_MIN) {
+	if (std::abs(e[i__])>GMX_DOUBLE_MIN) {
 	    ++(*info);
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dsterf.c b/src/gromacs/linearalgebra/gmx_lapack/dsterf.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/dsterf.c
rename to src/gromacs/linearalgebra/gmx_lapack/dsterf.cpp
index ba43f6dfc8..8454394467 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dsterf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dsterf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -52,8 +52,8 @@ F77_FUNC(dsterf,DSTERF)(int *n,
     d__1 = eps;
     eps2 = d__1 * d__1;
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax =  std::sqrt(safmax) / 3.;
+    ssfmin =  std::sqrt(safmin) / eps2;
 
     nmaxit = *n * 30;
     sigma = 0.;
@@ -71,8 +71,8 @@ L10:
     }
     i__1 = *n - 1;
     for (m = l1; m <= i__1; ++m) {
-	if (fabs(e[m]) <= sqrt(fabs(d__[m])) * 
-		sqrt(fabs(d__[m + 1])) * eps) {
+	if (std::abs(e[m]) <=  std::sqrt(std::abs(d__[m])) * 
+		 std::sqrt(std::abs(d__[m + 1])) * eps) {
 	    e[m] = 0.;
 	    goto L30;
 	}
@@ -116,7 +116,7 @@ L30:
 	e[i__] = d__1 * d__1;
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l])) {
+    if (std::abs(d__[lend]) < std::abs(d__[l])) {
 	lend = lsv;
 	l = lendsv;
     }
@@ -127,7 +127,7 @@ L50:
 	if (l != lend) {
 	    i__1 = lend - 1;
 	    for (m = l; m <= i__1; ++m) {
-		if (fabs(e[m]) <= eps2 * fabs(d__[m] * d__[m + 1])) {
+		if (std::abs(e[m]) <= eps2 * std::abs(d__[m] * d__[m + 1])) {
 		    goto L70;
 		}
 	    }
@@ -143,7 +143,7 @@ L70:
 	    goto L90;
 	}
 	if (m == l + 1) {
-	    rte = sqrt(e[l]);
+	    rte =  std::sqrt(e[l]);
 	    F77_FUNC(dlae2,DLAE2)(&d__[l], &rte, &d__[l + 1], &rt1, &rt2);
 	    d__[l] = rt1;
 	    d__[l + 1] = rt2;
@@ -160,7 +160,7 @@ L70:
 	}
 	++jtot;
 
-	rte = sqrt(e[l]);
+	rte =  std::sqrt(e[l]);
 	sigma = (d__[l + 1] - p) / (rte * 2.);
 	r__ = F77_FUNC(dlapy2,DLAPY2)(&sigma, &c_b32);
 	sigma = p - rte / (sigma + ( (sigma>0) ? r__ : -r__));
@@ -184,7 +184,7 @@ L70:
 	    alpha = d__[i__];
 	    gamma = c__ * (alpha - sigma) - s * oldgam;
 	    d__[i__ + 1] = oldgam + (alpha - gamma);
-	    if (fabs(c__)>GMX_DOUBLE_MIN) {
+	    if (std::abs(c__)>GMX_DOUBLE_MIN) {
 		p = gamma * gamma / c__;
 	    } else {
 		p = oldc * bb;
@@ -209,7 +209,7 @@ L90:
 L100:
 	i__1 = lend + 1;
 	for (m = l; m >= i__1; --m) {
-	    if (fabs(e[m - 1]) <= eps2 * fabs(d__[m] * d__[m - 1])) {
+	    if (std::abs(e[m - 1]) <= eps2 * std::abs(d__[m] * d__[m - 1])) {
 		goto L120;
 	    }
 	}
@@ -225,7 +225,7 @@ L120:
 	}
 
 	if (m == l - 1) {
-	    rte = sqrt(e[l - 1]);
+	    rte =  std::sqrt(e[l - 1]);
 	    F77_FUNC(dlae2,DLAE2)(&d__[l], &rte, &d__[l - 1], &rt1, &rt2);
 	    d__[l] = rt1;
 	    d__[l - 1] = rt2;
@@ -242,7 +242,7 @@ L120:
 	}
 	++jtot;
 
-	rte = sqrt(e[l - 1]);
+	rte =  std::sqrt(e[l - 1]);
 	sigma = (d__[l - 1] - p) / (rte * 2.);
 	r__ = F77_FUNC(dlapy2,DLAPY2)(&sigma, &c_b32);
 	sigma = p - rte / (sigma + ( (sigma>0) ? r__ : -r__));
@@ -266,7 +266,7 @@ L120:
 	    alpha = d__[i__ + 1];
 	    gamma = c__ * (alpha - sigma) - s * oldgam;
 	    d__[i__] = oldgam + (alpha - gamma);
-	    if (fabs(c__)>GMX_DOUBLE_MIN) {
+	    if (std::abs(c__)>GMX_DOUBLE_MIN) {
 		p = gamma * gamma / c__;
 	    } else {
 		p = oldc * bb;
@@ -305,7 +305,7 @@ L150:
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__])>GMX_DOUBLE_MIN) {
+	if (std::abs(e[i__])>GMX_DOUBLE_MIN) {
 	    ++(*info);
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dstevr.c b/src/gromacs/linearalgebra/gmx_lapack/dstevr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dstevr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dstevr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dsyevr.c b/src/gromacs/linearalgebra/gmx_lapack/dsyevr.cpp
similarity index 83%
rename from src/gromacs/linearalgebra/gmx_lapack/dsyevr.c
rename to src/gromacs/linearalgebra/gmx_lapack/dsyevr.cpp
index 379c9c94cd..93b319c663 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dsyevr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dsyevr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -20,7 +20,7 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
     /* Local variables */
     int c__1 = 1;
     int i__, j, nb, jj;
-    double eps, vll, vuu, tmp1;
+    double eps, tmp1;
     int indd, inde;
     double anrm;
     int imax;
@@ -32,10 +32,10 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
     int lwmin;
     int lower, wantz;
     int alleig, indeig;
-    int iscale, ieeeok, indibl, indifl;
+    int iscale, indibl, indifl;
     int valeig;
     double safmin,minval;
-    double abstll, bignum;
+    double bignum;
     int indtau;
     int indwkn;
     int liwmin;
@@ -43,10 +43,6 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
     double smlnum;
     int lwkopt;
     int lquery;
-    double posinf,neginf,negzro,newzro;
-    double fzero = 0.0;
-    double fone = 1.0;
-
     
     /* Parameter adjustments */
     a_dim1 = *lda;
@@ -60,33 +56,6 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
     --work;
     --iwork;
 
-    /* Check for IEEE-compliant FP */
-    ieeeok = 1;
-    posinf = fone/fzero;
-    if(posinf<=1.0)
-      ieeeok = 0;
-    neginf = -fone/fzero;
-    if(neginf>=0.0)
-      ieeeok = 0;
-    negzro = fone/(neginf+fone);
-    if(negzro!=0)
-      ieeeok = 0;
-    neginf = fone/negzro;
-    if(neginf>=0)
-      ieeeok = 0;
-    newzro = negzro + fzero;
-    if(newzro!=fzero)
-      ieeeok = 0;
-    posinf = fone /newzro;
-    if(posinf<=fone)
-      ieeeok = 0;
-    neginf = neginf*posinf;
-    if(neginf>=fzero)
-      ieeeok = 0;
-    posinf = posinf*posinf;
-    if(posinf<=1.0)
-      ieeeok = 0;
-
     lower = (*uplo=='L' || *uplo=='l');
     wantz = (*jobz=='V' || *jobz=='v');
     alleig = (*range=='A' || *range=='a');
@@ -184,15 +153,12 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
 
     smlnum = safmin / eps;
     bignum = 1. / smlnum;
-    rmin = sqrt(smlnum);
+    rmin =  std::sqrt(smlnum);
 
-    d__1 = sqrt(bignum), d__2 = 1. / sqrt(sqrt(safmin));
+    d__1 =  std::sqrt(bignum), d__2 = 1. / std::sqrt(sqrt(safmin));
     rmax = (d__1<d__2) ? d__1 : d__2;
 
     iscale = 0;
-    abstll = *abstol;
-    vll = *vl;
-    vuu = *vu;
     anrm = F77_FUNC(dlansy,DLANSY)("M", uplo, n, &a[a_offset], lda, &work[1]);
     if (anrm > 0. && anrm < rmin) {
 	iscale = 1;
@@ -215,13 +181,6 @@ F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, i
 
 	    }
 	}
-	if (*abstol > 0.) {
-	    abstll = *abstol * sigma;
-	}
-	if (valeig) {
-	    vll = *vl * sigma;
-	    vuu = *vu * sigma;
-	}
     }
 
     indtau = 1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dsytd2.c b/src/gromacs/linearalgebra/gmx_lapack/dsytd2.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/dsytd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dsytd2.cpp
index 32eb8880f4..68fd1a37fe 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dsytd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dsytd2.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -19,7 +19,7 @@ F77_FUNC(dsytd2,DSYTD2)(const char *    uplo,
   double minusone,zero;
   double taui,alpha,tmp;
   int ti1,ti2,ti3,i;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   zero = 0.0;
   minusone = -1.0;
@@ -33,7 +33,7 @@ F77_FUNC(dsytd2,DSYTD2)(const char *    uplo,
       ti1 = 1;
       F77_FUNC(dlarfg,DLARFG)(&i,&(a[i*(*lda)+(i-1)]),&(a[i*(*lda)+0]),&ti1,&taui);
       e[i-1] = a[i*(*lda) + (i-1)];
-      if(fabs(taui)>GMX_DOUBLE_MIN) {
+      if(std::abs(taui)>GMX_DOUBLE_MIN) {
 	a[i*(*lda)+(i-1)] = 1.0;
       
 	ti1 = 1;
@@ -67,7 +67,7 @@ F77_FUNC(dsytd2,DSYTD2)(const char *    uplo,
 
       e[i-1] = a[(i-1)*(*lda) + (i)];
 
-      if(fabs(taui)>GMX_DOUBLE_MIN) {
+      if(std::abs(taui)>GMX_DOUBLE_MIN) {
 	a[(i-1)*(*lda)+(i)] = 1.0;
       
 	ti1 = *n - i;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dsytrd.c b/src/gromacs/linearalgebra/gmx_lapack/dsytrd.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/dsytrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/dsytrd.cpp
index cd8dc7eded..2d77f26e09 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dsytrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dsytrd.cpp
@@ -61,7 +61,6 @@ F77_FUNC(dsytrd,DSYTRD)(const char *uplo, int *n, double *a, int *
     }
 
     nx = *n;
-    iws = 1;
     if (nb > 1 && nb < *n) {
 
 	nx = DSYTRD_CROSSOVER;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dtrti2.c b/src/gromacs/linearalgebra/gmx_lapack/dtrti2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/dtrti2.c
rename to src/gromacs/linearalgebra/gmx_lapack/dtrti2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/dtrtri.c b/src/gromacs/linearalgebra/gmx_lapack/dtrtri.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/dtrtri.c
rename to src/gromacs/linearalgebra/gmx_lapack/dtrtri.cpp
index d561269688..d389ab6841 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/dtrtri.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/dtrtri.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -41,7 +41,7 @@ F77_FUNC(dtrtri,DTRTRI)(const char *uplo,
     if (nounit) {
 	i__1 = *n;
 	for (*info = 1; *info <= i__1; ++(*info)) {
-	    if (fabs(a[*info + *info * a_dim1])<GMX_DOUBLE_MIN) {
+	    if (std::abs(a[*info + *info * a_dim1])<GMX_DOUBLE_MIN) {
 		return;
 	    }
 	}
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ilasrt2.c b/src/gromacs/linearalgebra/gmx_lapack/ilasrt2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/ilasrt2.c
rename to src/gromacs/linearalgebra/gmx_lapack/ilasrt2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sbdsdc.c b/src/gromacs/linearalgebra/gmx_lapack/sbdsdc.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/sbdsdc.c
rename to src/gromacs/linearalgebra/gmx_lapack/sbdsdc.cpp
index f980062696..2577022ff5 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sbdsdc.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sbdsdc.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -91,7 +91,7 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
 	  u[u_dim1 + 1] = (d__[1]>0) ? 1.0 : -1.0;
 	  vt[vt_dim1 + 1] = 1.;
 	}
-	d__[1] = fabs(d__[1]);
+	d__[1] = std::abs(d__[1]);
 	return;
     }
     nm1 = *n - 1;
@@ -149,7 +149,7 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
     }
 
     orgnrm = F77_FUNC(slanst,SLANST)("M", n, &d__[1], &e[1]);
-    if ( fabs(orgnrm)<GMX_FLOAT_MIN) {
+    if ( std::abs(orgnrm)<GMX_FLOAT_MIN) {
 	return;
     }
     F77_FUNC(slascl,SLASCL)("G", &c_0, &c_0, &orgnrm, &one, n, &c_1, &d__[1], n, &ierr);
@@ -157,8 +157,7 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
 
     eps = GMX_FLOAT_EPS;
 
-    mlvl = (int) (log((float) (*n) / (float) (smlsiz + 1)) / 
-	    log(2.)) + 1;
+    mlvl = (int) (std::log((float) (*n) / (float) (smlsiz + 1)) / std::log(2.)) + 1;
     smlszp = smlsiz + 1;
 
     if (icompq == 1) {
@@ -180,7 +179,7 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
 
     i__1 = *n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(d__[i__]) < eps) 
+	if (std::abs(d__[i__]) < eps) 
 	    d__[i__] = (d__[i__]>0) ? eps : -eps;
     }
 
@@ -189,10 +188,10 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
 
     i__1 = nm1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__]) < eps || i__ == nm1) {
+	if (std::abs(e[i__]) < eps || i__ == nm1) {
 	    if (i__ < nm1) {
 		nsize = i__ - start + 1;
-	    } else if (fabs(e[i__]) >= eps) {
+	    } else if (std::abs(e[i__]) >= eps) {
 		nsize = *n - start + 1;
 	    } else {
 		nsize = i__ - start + 1;
@@ -203,7 +202,7 @@ F77_FUNC(sbdsdc,SBDSDC)(const char *uplo,
 		    q[*n + (qstart - 1) * *n] = (d__[*n]>0) ? 1.0 : -1.0; 
 		    q[*n + (smlsiz + qstart - 1) * *n] = 1.;
 		}
-		d__[*n] = fabs(d__[*n]);
+		d__[*n] = std::abs(d__[*n]);
 	    }
 	    if (icompq == 2) {
 		F77_FUNC(slasd0,SLASD0)(&nsize, &sqre, &d__[start], &e[start], 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sbdsqr.c b/src/gromacs/linearalgebra/gmx_lapack/sbdsqr.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_lapack/sbdsqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sbdsqr.cpp
index 6ba0b466dc..2cd91a2fe4 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sbdsqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sbdsqr.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -23,7 +23,7 @@ F77_FUNC(sbdsqr,SBDSQR)(const char *uplo,
                         float *work,
                         int *info)
 {
-    const char xuplo = toupper(*uplo);
+    const char xuplo = std::toupper(*uplo);
     int c_dim1, c_offset, u_dim1, u_offset, vt_dim1, vt_offset, i__1, 
 	    i__2;
     float r__1, r__2, r__3, r__4;
@@ -56,9 +56,8 @@ F77_FUNC(sbdsqr,SBDSQR)(const char *uplo,
     float sminoa;
     float thresh;
     int rotate;
-    float sminlo, tolmul;
+    float tolmul;
     int itmp1,itmp2;
-    float ftmp;
     
     --d__;
     --e;
@@ -142,43 +141,43 @@ F77_FUNC(sbdsqr,SBDSQR)(const char *uplo,
 	}
     }
 
-    r__3 = 100.f, r__4 = pow(GMX_FLOAT_EPS,c_b15);
+    r__3 = 100.f, r__4 = std::pow(static_cast<float>(GMX_FLOAT_EPS),c_b15);
     r__1 = 10.f, r__2 = (r__3<r__4) ? r__3 : r__4;
     tolmul = (r__1>r__2) ? r__1 : r__2;
     tol = tolmul * eps;
     smax = 0.f;
     i__1 = *n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	r__2 = smax, r__3 = (r__1 = d__[i__], fabs(r__1));
+	r__2 = smax, r__3 = (r__1 = d__[i__], std::abs(r__1));
 	smax = (r__2>r__3) ? r__2 : r__3;
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	r__2 = smax, r__3 = (r__1 = e[i__], fabs(r__1));
+	r__2 = smax, r__3 = (r__1 = e[i__], std::abs(r__1));
 	smax = (r__2>r__3) ? r__2 : r__3;
     }
     sminl = 0.f;
     if (tol >= 0.f) {
-	sminoa = fabs(d__[1]);
+	sminoa = std::abs(d__[1]);
 	if (sminoa == 0.f) {
 	    goto L50;
 	}
 	mu = sminoa;
 	i__1 = *n;
 	for (i__ = 2; i__ <= i__1; ++i__) {
-	    mu = (r__2 = d__[i__], fabs(r__2)) * (mu / (mu + (r__1 = e[i__ - 
-		    1], fabs(r__1))));
+	    mu = (r__2 = d__[i__], std::abs(r__2)) * (mu / (mu + (r__1 = e[i__ - 
+		    1], std::abs(r__1))));
 	    sminoa = (sminoa<mu) ? sminoa : mu;
 	    if (sminoa == 0.f) {
 		goto L50;
 	    }
 	}
 L50:
-	sminoa /= sqrt((float) (*n));
+	sminoa /=  std::sqrt((float) (*n));
 	r__1 = tol * sminoa, r__2 = *n * 6 * *n * unfl;
 	thresh = (r__1>r__2) ? r__1 : r__2;
     } else {
-	r__1 = fabs(tol) * smax, r__2 = *n * 6 * *n * unfl;
+	r__1 = std::abs(tol) * smax, r__2 = *n * 6 * *n * unfl;
 	thresh = (r__1>r__2) ? r__1 : r__2;
     }
     maxit = *n * 6 * *n;
@@ -196,16 +195,16 @@ L60:
 	goto L200;
     }
 
-    if (tol < 0.f && (r__1 = d__[m], fabs(r__1)) <= thresh) {
+    if (tol < 0.f && (r__1 = d__[m], std::abs(r__1)) <= thresh) {
 	d__[m] = 0.f;
     }
-    smax = (r__1 = d__[m], fabs(r__1));
+    smax = (r__1 = d__[m], std::abs(r__1));
     smin = smax;
     i__1 = m - 1;
     for (lll = 1; lll <= i__1; ++lll) {
 	ll = m - lll;
-	abss = (r__1 = d__[ll], fabs(r__1));
-	abse = (r__1 = e[ll], fabs(r__1));
+	abss = (r__1 = d__[ll], std::abs(r__1));
+	abse = (r__1 = e[ll], std::abs(r__1));
 	if (tol < 0.f && abss <= thresh) {
 	    d__[ll] = 0.f;
 	}
@@ -248,7 +247,7 @@ L90:
 	goto L60;
     }
     if (ll > oldm || m < oldll) {
-	if ((r__1 = d__[ll], fabs(r__1)) >= (r__2 = d__[m], fabs(r__2))) {
+	if ((r__1 = d__[ll], std::abs(r__1)) >= (r__2 = d__[m], std::abs(r__2))) {
 	    idir = 1;
 	} else {
 	    idir = 2;
@@ -256,44 +255,42 @@ L90:
     }
     if (idir == 1) {
 
-        if( (fabs(e[m-1]) <= fabs(tol) * fabs(d__[m])) ||
-            (tol<0.0 && fabs(e[m-1])<=thresh)) {
+        if( (std::abs(e[m-1]) <= std::abs(tol) * std::abs(d__[m])) ||
+            (tol<0.0 && std::abs(e[m-1])<=thresh)) {
 	    e[m - 1] = 0.f;
 	    goto L60;
 	}
 	if (tol >= 0.f) {
-	    mu = (r__1 = d__[ll], fabs(r__1));
+	    mu = (r__1 = d__[ll], std::abs(r__1));
 	    sminl = mu;
 	    i__1 = m - 1;
 	    for (lll = ll; lll <= i__1; ++lll) {
-		if ((r__1 = e[lll], fabs(r__1)) <= tol * mu) {
+		if ((r__1 = e[lll], std::abs(r__1)) <= tol * mu) {
 		    e[lll] = 0.f;
 		    goto L60;
 		}
-		sminlo = sminl;
-		mu = (r__2 = d__[lll + 1], fabs(r__2)) * (mu / (mu + (r__1 = 
-			e[lll], fabs(r__1))));
+		mu = (r__2 = d__[lll + 1], std::abs(r__2)) * (mu / (mu + (r__1 = 
+			e[lll], std::abs(r__1))));
 		sminl = (sminl<mu) ? sminl : mu;
 	    }
 	}
     } else {
-        if( (fabs(e[ll]) <= fabs(tol)*fabs(d__[ll])) ||
-            (tol<0.0 && fabs(e[ll])<=thresh)) {
+        if( (std::abs(e[ll]) <= std::abs(tol)*std::abs(d__[ll])) ||
+            (tol<0.0 && std::abs(e[ll])<=thresh)) {
 	    e[ll] = 0.f;
 	    goto L60;
 	}
 	if (tol >= 0.f) {
-	    mu = (r__1 = d__[m], fabs(r__1));
+	    mu = (r__1 = d__[m], std::abs(r__1));
 	    sminl = mu;
 	    i__1 = ll;
 	    for (lll = m - 1; lll >= i__1; --lll) {
-		if ((r__1 = e[lll], fabs(r__1)) <= tol * mu) {
+		if ((r__1 = e[lll], std::abs(r__1)) <= tol * mu) {
 		    e[lll] = 0.f;
 		    goto L60;
 		}
-		sminlo = sminl;
-		mu = (r__2 = d__[lll], fabs(r__2)) * (mu / (mu + (r__1 = e[
-			lll], fabs(r__1))));
+		mu = (r__2 = d__[lll], std::abs(r__2)) * (mu / (mu + (r__1 = e[
+			lll], std::abs(r__1))));
 		sminl = (sminl<mu) ? sminl : mu;
 	    }
 	}
@@ -306,10 +303,10 @@ L90:
 	shift = 0.f;
     } else {
 	if (idir == 1) {
-	    sll = (r__1 = d__[ll], fabs(r__1));
+	    sll = (r__1 = d__[ll], std::abs(r__1));
 	    F77_FUNC(slas2,SLAS2)(&d__[m - 1], &e[m - 1], &d__[m], &shift, &r__);
 	} else {
-	    sll = (r__1 = d__[m], fabs(r__1));
+	    sll = (r__1 = d__[m], std::abs(r__1));
 	    F77_FUNC(slas2,SLAS2)(&d__[ll], &e[ll], &d__[ll + 1], &shift, &r__);
 	}
 	if (sll > 0.f) {
@@ -357,7 +354,7 @@ L90:
 		F77_FUNC(slasr,SLASR)("L", "V", "F", &i__1, ncc, &work[nm12 + 1], &work[nm13 
 			+ 1], &c__[ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[m - 1], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[m - 1], std::abs(r__1)) <= thresh) {
 		e[m - 1] = 0.f;
 	    }
 	} else {
@@ -396,14 +393,14 @@ L90:
 		F77_FUNC(slasr,SLASR)("L", "V", "B", &i__1, ncc, &work[1], &work[*n], &c__[
 			ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[ll], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[ll], std::abs(r__1)) <= thresh) {
 		e[ll] = 0.f;
 	    }
 	}
     } else {
 
 	if (idir == 1) {
-	    f = ((r__1 = d__[ll], fabs(r__1)) - shift) * ( ((d__[ll] > 0) ? c_b49 : -c_b49) + shift / d__[ll]);
+	    f = ((r__1 = d__[ll], std::abs(r__1)) - shift) * ( ((d__[ll] > 0) ? c_b49 : -c_b49) + shift / d__[ll]);
 	    g = e[ll];
 	    i__1 = m - 1;
 	    for (i__ = ll; i__ <= i__1; ++i__) {
@@ -445,12 +442,12 @@ L90:
 		F77_FUNC(slasr,SLASR)("L", "V", "F", &i__1, ncc, &work[nm12 + 1], &work[nm13 
 			+ 1], &c__[ll + c_dim1], ldc);
 	    }
-	    if ((r__1 = e[m - 1], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[m - 1], std::abs(r__1)) <= thresh) {
 		e[m - 1] = 0.f;
 	    }
 	} else {
 
-	    f = ((r__1 = d__[m], fabs(r__1)) - shift) * ( ((d__[m] > 0) ? c_b49 : -c_b49) + shift / d__[m]);
+	    f = ((r__1 = d__[m], std::abs(r__1)) - shift) * ( ((d__[m] > 0) ? c_b49 : -c_b49) + shift / d__[m]);
 	    g = e[m - 1];
 	    i__1 = ll + 1;
 	    for (i__ = m; i__ >= i__1; --i__) {
@@ -477,7 +474,7 @@ L90:
 	    }
 	    e[ll] = f;
 
-	    if ((r__1 = e[ll], fabs(r__1)) <= thresh) {
+	    if ((r__1 = e[ll], std::abs(r__1)) <= thresh) {
 		e[ll] = 0.f;
 	    }
 	    if (*ncvt > 0) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgebd2.c b/src/gromacs/linearalgebra/gmx_lapack/sgebd2.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/sgebd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgebd2.cpp
index 004fe148ef..e474470ff2 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sgebd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sgebd2.cpp
@@ -51,7 +51,6 @@ F77_FUNC(sgebd2,SGEBD2)(int *m,
     for(i=0;i<*m;i++) {
       i1 = *n - i;
       i2 = ( (i+1) < (*n-1)) ? (i+1) : (*n-1);
-      i3 = 1;
       F77_FUNC(slarfg,SLARFG)(&i1,&(a[i*(*lda)+i]),&(a[i2*(*lda)+i]),lda,&(taup[i]));
       d[i] = a[i*(*lda)+i];
       a[i*(*lda)+i] = 1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgebrd.c b/src/gromacs/linearalgebra/gmx_lapack/sgebrd.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgebrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgebrd.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgelq2.c b/src/gromacs/linearalgebra/gmx_lapack/sgelq2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgelq2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgelq2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgelqf.c b/src/gromacs/linearalgebra/gmx_lapack/sgelqf.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/sgelqf.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgelqf.cpp
index cdefb4ebd9..ae5d9243de 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sgelqf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sgelqf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgeqr2.c b/src/gromacs/linearalgebra/gmx_lapack/sgeqr2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgeqr2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgeqr2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgeqrf.c b/src/gromacs/linearalgebra/gmx_lapack/sgeqrf.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgeqrf.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgeqrf.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgesdd.c b/src/gromacs/linearalgebra/gmx_lapack/sgesdd.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/sgesdd.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgesdd.cpp
index 48693e9917..f02d5c1aef 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sgesdd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sgesdd.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 
@@ -30,14 +30,13 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
     float anrm;
     int idum[1], ierr, itau;
     int minmn, wrkbl, itaup, itauq, mnthr;
-    int wntqa;
     int nwork;
-    int wntqn, wntqo, wntqs;
+    int wntqn;
     int bdspac;
     float bignum;
-    int minwrk, ldwrku, maxwrk, ldwkvt;
+    int ldwrku, maxwrk, ldwkvt;
     float smlnum,minval, safemin;
-    int wntqas, lquery;
+    int lquery;
     int c__0 = 0;
     int c__1 = 1;
     float zero = 0.0;
@@ -60,13 +59,8 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
     *info = 0;
     minmn = (*m < *n) ? *m : *n;
     mnthr = (int) (minmn * 11. / 6.);
-    wntqa  = (*jobz=='a' || *jobz=='A');
-    wntqs  = (*jobz=='s' || *jobz=='S');
-    wntqas = wntqa || wntqs;
     wntqn = (*jobz=='o' || *jobz=='O');
-    wntqo = (*jobz=='n' || *jobz=='N');
 
-    minwrk = 1;
     maxwrk = 1;
     lquery = *lwork == -1;
 
@@ -84,7 +78,6 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
 		    wrkbl = *n * 67;
 		    i__1 = wrkbl, i__2 = bdspac + *n;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = bdspac + *n;
 		} else {
 
 		    wrkbl = *n * 67;
@@ -93,7 +86,6 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
 		    i__1 = wrkbl, i__2 = bdspac + *n * 3;
 		    wrkbl = (i__1 > i__2) ? i__1 : i__2;
 		    maxwrk = wrkbl + *n * *n;
-		    minwrk = bdspac + *n * *n + *n * 3;
 		}
 	    } else {
 
@@ -101,11 +93,9 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
 		if (wntqn) {
 		    i__1 = wrkbl, i__2 = bdspac + *n * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *n * 3 + ((*m > bdspac) ? *m : bdspac);
 		} else {
 		    i__1 = maxwrk, i__2 = bdspac + *n * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *n * 3 + ((*m > bdspac) ? *m : bdspac);
 		}
 	    }
 	} else {
@@ -121,7 +111,6 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
 		    wrkbl = *m * 67;
 		    i__1 = wrkbl, i__2 = bdspac + *m;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = bdspac + *m;
 		} else {
 
 		    wrkbl = *m * 67;
@@ -131,18 +120,15 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    wrkbl = (i__1 > i__2) ? i__1 : i__2;
 		    maxwrk = wrkbl + *m * *m;
-		    minwrk = bdspac + *m * *m + *m * 3;
 		}
 	    } else {
 		wrkbl = *m * 3 + (*m + *n*32);
 		if (wntqn) {
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *m * 3 + ((*m > bdspac) ? *m : bdspac);
 		} else {
 		    i__1 = wrkbl, i__2 = bdspac + *m * 3;
 		    maxwrk = (i__1 > i__2) ? i__1 : i__2;
-		    minwrk = *m * 3 + ((*m > bdspac) ? *m : bdspac);
 		}
 	    }
 	}
@@ -163,7 +149,7 @@ F77_FUNC(sgesdd,SGESDD)(const char *jobz,
     eps = GMX_FLOAT_EPS;
     minval = GMX_FLOAT_MIN;
     safemin = minval / eps;
-    smlnum = sqrt(safemin) / eps;
+    smlnum =  std::sqrt(safemin) / eps;
 
 
     bignum = 1. / smlnum;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgetf2.c b/src/gromacs/linearalgebra/gmx_lapack/sgetf2.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/sgetf2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgetf2.cpp
index 4fdce16c88..bd768fb17f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sgetf2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sgetf2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -14,10 +14,9 @@ F77_FUNC(sgetf2,SGETF2)(int *m,
 	int *info)
 {
   int j,jp,k,t1,t2,t3;
-  float one,minusone;
+  float minusone;
   float tmp;
 
-  one = 1.0;
   minusone = -1.0;
 
   if(*m<=0 || *n<=0)
@@ -29,7 +28,7 @@ F77_FUNC(sgetf2,SGETF2)(int *m,
     t2 = 1;
     jp = j - 1 + F77_FUNC(isamax,ISAMAX)(&t1,&(a[(j-1)*(*lda)+(j-1)]),&t2);
     ipiv[j-1] = jp;
-    if( fabs(a[(j-1)*(*lda)+(jp-1)])>GMX_FLOAT_MIN ) {
+    if( std::abs(a[(j-1)*(*lda)+(jp-1)])>GMX_FLOAT_MIN ) {
       if(jp != j)
 	F77_FUNC(sswap,SSWAP)(n,&(a[ j-1 ]),lda,&(a[ jp-1 ]),lda);
       
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgetrf.c b/src/gromacs/linearalgebra/gmx_lapack/sgetrf.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgetrf.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgetrf.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgetri.c b/src/gromacs/linearalgebra/gmx_lapack/sgetri.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgetri.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgetri.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sgetrs.c b/src/gromacs/linearalgebra/gmx_lapack/sgetrs.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sgetrs.c
rename to src/gromacs/linearalgebra/gmx_lapack/sgetrs.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slabrd.c b/src/gromacs/linearalgebra/gmx_lapack/slabrd.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slabrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/slabrd.cpp
index dc09f52409..cb053f8078 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slabrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slabrd.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slacpy.c b/src/gromacs/linearalgebra/gmx_lapack/slacpy.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_lapack/slacpy.c
rename to src/gromacs/linearalgebra/gmx_lapack/slacpy.cpp
index 70071311bd..5d6b19a5f0 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slacpy.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slacpy.cpp
@@ -1,4 +1,4 @@
-#include<ctype.h>
+#include <cctype>
 #include "../gmx_lapack.h"
 
 /* LAPACK */
@@ -12,7 +12,7 @@ F77_FUNC(slacpy,SLACPY)(const char *uplo,
 	int *ldb)
 {
   int i,j,minjm;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   if(ch=='U') {
     for(j=0;j<*n;j++) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slae2.c b/src/gromacs/linearalgebra/gmx_lapack/slae2.cpp
similarity index 76%
rename from src/gromacs/linearalgebra/gmx_lapack/slae2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slae2.cpp
index b497f74cf8..cad1510dc0 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slae2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slae2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 
@@ -15,10 +15,10 @@ F77_FUNC(slae2,SLAE2)(float *a,
 
     sm = *a + *c__;
     df = *a - *c__;
-    adf = fabs(df);
+    adf = std::abs(df);
     tb = *b + *b;
-    ab = fabs(tb);
-    if (fabs(*a) > fabs(*c__)) {
+    ab = std::abs(tb);
+    if (std::abs(*a) > std::abs(*c__)) {
 	acmx = *a;
 	acmn = *c__;
     } else {
@@ -27,13 +27,13 @@ F77_FUNC(slae2,SLAE2)(float *a,
     }
     if (adf > ab) {
 	d__1 = ab / adf;
-	rt = adf * sqrt(d__1 * d__1 + 1.);
+	rt = adf *  std::sqrt(d__1 * d__1 + 1.);
     } else if (adf < ab) {
 	d__1 = adf / ab;
-	rt = ab * sqrt(d__1 * d__1 + 1.);
+	rt = ab *  std::sqrt(d__1 * d__1 + 1.);
     } else {
 
-	rt = ab * sqrt(2.);
+	rt = ab *  std::sqrt(2.);
     }
     if (sm < 0.) {
 	*rt1 = (sm - rt) * .5;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaebz.c b/src/gromacs/linearalgebra/gmx_lapack/slaebz.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/slaebz.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaebz.cpp
index b4810c6bc6..56d3312e86 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slaebz.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slaebz.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -59,7 +59,7 @@ F77_FUNC(slaebz,SLAEBZ)(int *ijob,
 	for (ji = 1; ji <= i__1; ++ji) {
 	    for (jp = 1; jp <= 2; ++jp) {
 		tmp1 = d__[1] - ab[ji + jp * ab_dim1];
-		if (fabs(tmp1) < *pivmin) {
+		if (std::abs(tmp1) < *pivmin) {
 		    tmp1 = -(*pivmin);
 		}
 		nab[ji + jp * nab_dim1] = 0;
@@ -70,7 +70,7 @@ F77_FUNC(slaebz,SLAEBZ)(int *ijob,
 		i__2 = *n;
 		for (j = 2; j <= i__2; ++j) {
 		    tmp1 = d__[j] - e2[j - 1] / tmp1 - ab[ji + jp * ab_dim1];
-		    if (fabs(tmp1) < *pivmin) {
+		    if (std::abs(tmp1) < *pivmin) {
 			tmp1 = -(*pivmin);
 		    }
 		    if (tmp1 <= 0.) {
@@ -247,9 +247,9 @@ F77_FUNC(slaebz,SLAEBZ)(int *ijob,
 	kfnew = kf;
 	i__2 = kl;
 	for (ji = kf; ji <= i__2; ++ji) {
-	    tmp1 = fabs(ab[ji + (ab_dim1 << 1)] - ab[ji + ab_dim1]);
-	    d__3 = fabs(ab[ji + (ab_dim1 << 1)]);
-	    d__4 = fabs(ab[ji + ab_dim1]);
+	    tmp1 = std::abs(ab[ji + (ab_dim1 << 1)] - ab[ji + ab_dim1]);
+	    d__3 = std::abs(ab[ji + (ab_dim1 << 1)]);
+	    d__4 = std::abs(ab[ji + ab_dim1]);
 	    tmp2 = (d__3>d__4) ? d__3 : d__4;
 	    d__1 = (*abstol>*pivmin) ? *abstol : *pivmin;
 	    d__2 = *reltol * tmp2;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaed6.c b/src/gromacs/linearalgebra/gmx_lapack/slaed6.cpp
similarity index 78%
rename from src/gromacs/linearalgebra/gmx_lapack/slaed6.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaed6.cpp
index 5bb1c4935f..bdae39a291 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slaed6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slaed6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "../gmx_lapack.h"
 
@@ -48,7 +48,7 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
 	    a = c__ * (d__[1] + d__[2]) + z__[1] + z__[2];
 	    b = c__ * d__[1] * d__[2] + z__[1] * d__[2] + z__[2] * d__[1];
 	}
-        r__1 = fabs(a), r__2 = fabs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = fabs(c__);
+        r__1 = std::abs(a), r__2 = std::abs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = std::abs(c__);
         temp = (r__1>r__2) ? r__1 : r__2;
 	a /= temp;
 	b /= temp;
@@ -56,15 +56,15 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
 	if (c__ == 0.f) {
 	    *tau = b / a;
 	} else if (a <= 0.f) {
-	    *tau = (a - sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1)))) / (
+	    *tau = (a -  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1)))) / (
 		    c__ * 2.f);
 	} else {
-	    *tau = b * 2.f / (a + sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1))));
+	    *tau = b * 2.f / (a +  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1))));
 	}
 
 	temp = *rho + z__[1] / (d__[1] - *tau) + z__[2] / (d__[2] - *tau) + 
 		z__[3] / (d__[3] - *tau);
-	if (fabs(*finit) <= fabs(temp)) {
+	if (std::abs(*finit) <= std::abs(temp)) {
 	    *tau = 0.f;
 	}
     }
@@ -72,19 +72,19 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
     eps = GMX_FLOAT_EPS;
     base = 2;
     safemin = GMX_FLOAT_MIN*(1.0+GMX_FLOAT_EPS);
-    i__1 = (int) (log(safemin) / log(base) / 3.f);
-    small1 = pow(base, i__1);
+    i__1 = static_cast<int>(std::log(safemin) / std::log(base) / 3.f);
+    small1 = std::pow(base, static_cast<float>(i__1));
     sminv1 = 1.f / small1;
     small2 = small1 * small1;
     sminv2 = sminv1 * sminv1;
 
     if (*orgati) {
-	r__3 = (r__1 = d__[2] - *tau, fabs(r__1)), r__4 = (r__2 = d__[3] - *
-		tau, fabs(r__2));
+	r__3 = (r__1 = d__[2] - *tau, std::abs(r__1)), r__4 = (r__2 = d__[3] - *
+		tau, std::abs(r__2));
         temp = (r__3<r__4) ? r__3 : r__4;
     } else {
-	r__3 = (r__1 = d__[1] - *tau, fabs(r__1)), r__4 = (r__2 = d__[2] - *
-		tau, fabs(r__2));
+	r__3 = (r__1 = d__[1] - *tau, std::abs(r__1)), r__4 = (r__2 = d__[2] - *
+		tau, std::abs(r__2));
 	temp = (r__3<r__4) ? r__3 : r__4;
     }
     scale = 0;
@@ -127,7 +127,7 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
     }
     f = *finit + *tau * fc;
 
-    if (fabs(f) <= 0.f) {
+    if (std::abs(f) <= 0.f) {
 	goto L60;
     }
     iter = niter + 1;
@@ -142,7 +142,7 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
 	a = (temp1 + temp2) * f - temp1 * temp2 * df;
 	b = temp1 * temp2 * f;
 	c__ = f - (temp1 + temp2) * df + temp1 * temp2 * ddf;
-	r__1 = fabs(a), r__2 = fabs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = fabs(c__);
+	r__1 = std::abs(a), r__2 = std::abs(b), r__1 = ((r__1>r__2)? r__1:r__2), r__2 = std::abs(c__);
 	temp = (r__1>r__2) ? r__1 : r__2;
 	a /= temp;
 	b /= temp;
@@ -150,9 +150,9 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
 	if (c__ == 0.f) {
 	    eta = b / a;
 	} else if (a <= 0.f) {
-	    eta = (a - sqrt((r__1 = a * a - b * 4.f * c__, fabs(r__1)))) / ( c__ * 2.f);
+	    eta = (a -  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs(r__1)))) / ( c__ * 2.f);
 	} else {
-	    eta = b * 2.f / (a + sqrt((r__1 = a * a - b * 4.f * c__, fabs( r__1))));
+	    eta = b * 2.f / (a +  std::sqrt((r__1 = a * a - b * 4.f * c__, std::abs( r__1))));
 	}
 	if (f * eta >= 0.f) {
 	    eta = -f / df;
@@ -186,13 +186,13 @@ F77_FUNC(slaed6,SLAED6)(int *kniter,
 	    temp3 = temp2 * temp;
 	    temp4 = temp1 / dscale[i__ - 1];
 	    fc += temp4;
-	    erretm += fabs(temp4);
+	    erretm += std::abs(temp4);
 	    df += temp2;
 	    ddf += temp3;
 	}
 	f = *finit + *tau * fc;
-	erretm = (fabs(*finit) + fabs(*tau) * erretm) * 8.f + fabs(*tau) * df;
-	if (fabs(f) <= eps * erretm) {
+	erretm = (std::abs(*finit) + std::abs(*tau) * erretm) * 8.f + std::abs(*tau) * df;
+	if (std::abs(f) <= eps * erretm) {
 	    goto L60;
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaev2.c b/src/gromacs/linearalgebra/gmx_lapack/slaev2.cpp
similarity index 76%
rename from src/gromacs/linearalgebra/gmx_lapack/slaev2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaev2.cpp
index 9a84c3d611..a0a01498b8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slaev2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slaev2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -21,10 +21,10 @@ F77_FUNC(slaev2,SLAEV2)(float *   a,
 
     sm = *a + *c__;
     df = *a - *c__;
-    adf = fabs(df);
+    adf = std::abs(df);
     tb = *b + *b;
-    ab = fabs(tb);
-    if (fabs(*a) > fabs(*c__)) {
+    ab = std::abs(tb);
+    if (std::abs(*a) > std::abs(*c__)) {
 	acmx = *a;
 	acmn = *c__;
     } else {
@@ -33,13 +33,13 @@ F77_FUNC(slaev2,SLAEV2)(float *   a,
     }
     if (adf > ab) {
 	d__1 = ab / adf;
-	rt = adf * sqrt(d__1 * d__1 + 1.);
+	rt = adf *  std::sqrt(d__1 * d__1 + 1.);
     } else if (adf < ab) {
 	d__1 = adf / ab;
-	rt = ab * sqrt(d__1 * d__1 + 1.);
+	rt = ab *  std::sqrt(d__1 * d__1 + 1.);
     } else {
 
-	rt = ab * sqrt(2.);
+	rt = ab *  std::sqrt(2.);
     }
     if (sm < 0.) {
 	*rt1 = (sm - rt) * .5;
@@ -62,18 +62,18 @@ F77_FUNC(slaev2,SLAEV2)(float *   a,
 	cs = df - rt;
 	sgn2 = -1;
     }
-    acs = fabs(cs);
+    acs = std::abs(cs);
     if (acs > ab) {
 	ct = -tb / cs;
-	*sn1 = 1. / sqrt(ct * ct + 1.);
+	*sn1 = 1. /  std::sqrt(ct * ct + 1.);
 	*cs1 = ct * *sn1;
     } else {
-	if (fabs(ab)<GMX_FLOAT_MIN) {
+	if (std::abs(ab)<GMX_FLOAT_MIN) {
 	    *cs1 = 1.;
 	    *sn1 = 0.;
 	} else {
 	    tn = -cs / tb;
-	    *cs1 = 1. / sqrt(tn * tn + 1.);
+	    *cs1 = 1. /  std::sqrt(tn * tn + 1.);
 	    *sn1 = tn * *cs1;
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slagtf.c b/src/gromacs/linearalgebra/gmx_lapack/slagtf.cpp
similarity index 77%
rename from src/gromacs/linearalgebra/gmx_lapack/slagtf.c
rename to src/gromacs/linearalgebra/gmx_lapack/slagtf.cpp
index 924a1bcd50..b06ed8d41c 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slagtf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slagtf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -31,7 +31,6 @@ F77_FUNC(slagtf,SLAGTF)(int *n,
     *info = 0;
     if (*n < 0) {
 	*info = -1;
-	i__1 = -(*info);
 	return;
     }
 
@@ -41,7 +40,7 @@ F77_FUNC(slagtf,SLAGTF)(int *n,
     a[1] -= *lambda;
     in[*n] = 0;
     if (*n == 1) {
-	if (fabs(a[1])<GMX_FLOAT_MIN) {
+	if (std::abs(a[1])<GMX_FLOAT_MIN) {
 	    in[1] = 1;
 	}
 	return;
@@ -50,20 +49,20 @@ F77_FUNC(slagtf,SLAGTF)(int *n,
     eps = GMX_FLOAT_EPS;
 
     tl = (*tol>eps) ? *tol : eps;
-    scale1 = fabs(a[1]) + fabs(b[1]);
+    scale1 = std::abs(a[1]) + std::abs(b[1]);
     i__1 = *n - 1;
     for (k = 1; k <= i__1; ++k) {
 	a[k + 1] -= *lambda;
-	scale2 = fabs(c__[k]) + fabs(a[k + 1]);
+	scale2 = std::abs(c__[k]) + std::abs(a[k + 1]);
 	if (k < *n - 1) {
-	    scale2 += fabs(b[k + 1]);
+	    scale2 += std::abs(b[k + 1]);
 	}
-	if (fabs(a[k])<GMX_FLOAT_MIN) {
+	if (std::abs(a[k])<GMX_FLOAT_MIN) {
 	    piv1 = 0.;
 	} else {
-	    piv1 = fabs(a[k]) / scale1;
+	    piv1 = std::abs(a[k]) / scale1;
 	}
-	if (fabs(c__[k])<GMX_FLOAT_MIN) {
+	if (std::abs(c__[k])<GMX_FLOAT_MIN) {
 	    in[k] = 0;
 	    piv2 = 0.;
 	    scale1 = scale2;
@@ -71,7 +70,7 @@ F77_FUNC(slagtf,SLAGTF)(int *n,
 		d__[k] = 0.;
 	    }
 	} else {
-	    piv2 = fabs(c__[k]) / scale2;
+	    piv2 = std::abs(c__[k]) / scale2;
 	    if (piv2 <= piv1) {
 		in[k] = 0;
 		scale1 = scale2;
@@ -98,7 +97,7 @@ F77_FUNC(slagtf,SLAGTF)(int *n,
 	    in[*n] = k;
 	}
     }
-    if (fabs(a[*n]) <= scale1 * tl && in[*n] == 0) {
+    if (std::abs(a[*n]) <= scale1 * tl && in[*n] == 0) {
 	in[*n] = *n;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slagts.c b/src/gromacs/linearalgebra/gmx_lapack/slagts.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/slagts.c
rename to src/gromacs/linearalgebra/gmx_lapack/slagts.cpp
index 2b8beb751c..6b4b4cde6f 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slagts.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slagts.cpp
@@ -1,5 +1,5 @@
 #include <stdlib.h>
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -38,7 +38,6 @@ F77_FUNC(slagts,SLAGTS)(int *job,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -53,26 +52,26 @@ F77_FUNC(slagts,SLAGTS)(int *job,
 
     if (*job < 0) {
 	if (*tol <= 0.) {
-	    *tol = fabs(a[1]);
+	    *tol = std::abs(a[1]);
 	    if (*n > 1) {
 		d__1 = *tol;
-		d__2 = fabs(a[2]);
+		d__2 = std::abs(a[2]);
 		d__1 = (d__1>d__2) ? d__1 : d__2;
-		d__2 = fabs(b[1]);
+		d__2 = std::abs(b[1]);
 		*tol = (d__1>d__2) ? d__1 : d__2;
 	    }
 	    i__1 = *n;
 	    for (k = 3; k <= i__1; ++k) {
 	      d__4 = *tol;
-	      d__5 = fabs(a[k]);
+	      d__5 = std::abs(a[k]);
 	      d__4 = (d__4>d__5) ? d__4 : d__5;
-	      d__5 = fabs(b[k - 1]);
+	      d__5 = std::abs(b[k - 1]);
 	      d__4 = (d__4>d__5) ? d__4 : d__5;
-	      d__5 = fabs(d__[k - 2]);
+	      d__5 = std::abs(d__[k - 2]);
 	      *tol = (d__4>d__5) ? d__4 : d__5;
 	    }
 	    *tol *= eps;
-	    if (fabs(*tol)<GMX_FLOAT_MIN) {
+	    if (std::abs(*tol)<GMX_FLOAT_MIN) {
 		*tol = eps;
 	    }
 	}
@@ -99,17 +98,17 @@ F77_FUNC(slagts,SLAGTS)(int *job,
 		    temp = y[k];
 		}
 		ak = a[k];
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_FLOAT_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_FLOAT_MIN || std::abs(temp) * sfmin > absak) {
 			    *info = k;
 			    return;
 			} else {
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			*info = k;
 			return;
 		    }
@@ -131,10 +130,10 @@ F77_FUNC(slagts,SLAGTS)(int *job,
 		if(ak<0)
 		  pert *= -1.0;
 L40:
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_FLOAT_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_FLOAT_MIN || std::abs(temp) * sfmin > absak) {
 			    ak += pert;
 			    pert *= 2;
 			    goto L40;
@@ -142,7 +141,7 @@ L40:
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			ak += pert;
 			pert *= 2;
 			goto L40;
@@ -164,17 +163,17 @@ L40:
 		    temp = y[k];
 		}
 		ak = a[k];
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_FLOAT_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_FLOAT_MIN || std::abs(temp) * sfmin > absak) {
 			    *info = k;
 			    return;
 			} else {
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			*info = k;
 			return;
 		    }
@@ -198,10 +197,10 @@ L40:
 		  pert *= -1.0;
 
 L70:
-		absak = fabs(ak);
+		absak = std::abs(ak);
 		if (absak < 1.) {
 		    if (absak < sfmin) {
-			if (fabs(absak)<GMX_FLOAT_MIN || fabs(temp) * sfmin > absak) {
+			if (std::abs(absak)<GMX_FLOAT_MIN || std::abs(temp) * sfmin > absak) {
 			    ak += pert;
 			    pert *= 2;
 			    goto L70;
@@ -209,7 +208,7 @@ L70:
 			    temp *= bignum;
 			    ak *= bignum;
 			}
-		    } else if (fabs(temp) > absak * bignum) {
+		    } else if (std::abs(temp) > absak * bignum) {
 			ak += pert;
 			pert *= 2;
 			goto L70;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slamrg.c b/src/gromacs/linearalgebra/gmx_lapack/slamrg.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/slamrg.c
rename to src/gromacs/linearalgebra/gmx_lapack/slamrg.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slange.c b/src/gromacs/linearalgebra/gmx_lapack/slange.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/slange.c
rename to src/gromacs/linearalgebra/gmx_lapack/slange.cpp
index a4a3c02a14..792c89e019 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slange.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slange.cpp
@@ -1,5 +1,6 @@
-#include<math.h>
-#include<ctype.h>
+#include <cctype>
+#include <cmath>
+
 #include "../gmx_lapack.h"
 
 
@@ -11,7 +12,7 @@ F77_FUNC(slange,SLANGE)(const char *norm,
 	int *lda,
 	float *work)
 {
-  const char ch=toupper(*norm);
+  const char ch=std::toupper(*norm);
   float dtemp,sum,max,val,scale;
   int i,j;
 
@@ -20,7 +21,7 @@ F77_FUNC(slange,SLANGE)(const char *norm,
     max = 0.0;
     for(j=0;j<*n;j++)
       for(i=0;i<*m;i++) {
-	dtemp = fabs(a[j*(*lda)+i]);
+	dtemp = std::abs(a[j*(*lda)+i]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -33,7 +34,7 @@ F77_FUNC(slange,SLANGE)(const char *norm,
     for(j=0;j<*n;j++) {
       sum = 0.0;
       for(i=0;i<*m;i++) 
-	sum += fabs(a[j*(*lda)+i]);
+	sum += std::abs(a[j*(*lda)+i]);
       if(sum>max)
 	max = sum;
     }
@@ -45,7 +46,7 @@ F77_FUNC(slange,SLANGE)(const char *norm,
       work[i] = 0.0;
     for(j=0;j<*n;j++)
       for(i=0;i<*m;i++)
-	work[i] += fabs(a[j*(*lda)+i]);
+	work[i] += std::abs(a[j*(*lda)+i]);
     max = 0;
     for(i=0;i<*m;i++)
       if(work[i]>max)
@@ -60,7 +61,7 @@ F77_FUNC(slange,SLANGE)(const char *norm,
     i = 1;
     for(j=0;j<*n;j++) 
       F77_FUNC(slassq,SLASSQ)(m,&(a[j*(*lda)+0]),&i,&scale,&sum);
-    val = scale*sqrt(sum);
+    val = scale* std::sqrt(sum);
     break;
 
   default:
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slanst.c b/src/gromacs/linearalgebra/gmx_lapack/slanst.cpp
similarity index 69%
rename from src/gromacs/linearalgebra/gmx_lapack/slanst.c
rename to src/gromacs/linearalgebra/gmx_lapack/slanst.cpp
index cc6d1f5ee8..b395312739 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slanst.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slanst.cpp
@@ -1,5 +1,6 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
+
 #include "../gmx_lapack.h"
 
 
@@ -9,7 +10,7 @@ F77_FUNC(slanst,SLANST)(const char *norm,
 	float *d,
 	float *e)
 {
-  const char ch=toupper(*norm);
+  const char ch=std::toupper(*norm);
   float dtemp,max,val,scale,sum;
   int i,j;
 
@@ -19,12 +20,12 @@ F77_FUNC(slanst,SLANST)(const char *norm,
   
   switch(ch) {
   case 'M':
-    max = fabs(d[*n-1]);
+    max = std::abs(d[*n-1]);
       for(i=0;i<(*n-1);i++) {
-	dtemp = fabs(d[i]);
+	dtemp = std::abs(d[i]);
 	if(dtemp>max)
 	  max = dtemp;
-	dtemp = fabs(e[i]);
+	dtemp = std::abs(e[i]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -36,14 +37,14 @@ F77_FUNC(slanst,SLANST)(const char *norm,
   case 'I':
 
     if(*n==1)
-      val = fabs(d[0]);
+      val = std::abs(d[0]);
     else {
-      max = fabs(d[0]) + fabs(e[0]);
-      dtemp = fabs(e[*n-2]) + fabs(d[*n-1]);
+      max = std::abs(d[0]) + std::abs(e[0]);
+      dtemp = std::abs(e[*n-2]) + std::abs(d[*n-1]);
       if(dtemp>max)
 	max = dtemp;
       for(i=1;i<(*n-1);i++) {
-	dtemp = fabs(d[i]) + fabs(e[i]) + fabs(e[i-1]);
+	dtemp = std::abs(d[i]) + std::abs(e[i]) + std::abs(e[i-1]);
 	if(dtemp>max)
 	  max = dtemp;
       }
@@ -62,7 +63,7 @@ F77_FUNC(slanst,SLANST)(const char *norm,
       sum *= 2;
     }
     F77_FUNC(slassq,SLASSQ)(n,d,&j,&scale,&sum);
-    val = scale * sqrt(sum);
+    val = scale *  std::sqrt(sum);
     break;
     
   default:
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slansy.c b/src/gromacs/linearalgebra/gmx_lapack/slansy.cpp
similarity index 87%
rename from src/gromacs/linearalgebra/gmx_lapack/slansy.c
rename to src/gromacs/linearalgebra/gmx_lapack/slansy.cpp
index e2f96c216a..d732eb1c57 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slansy.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slansy.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 
 #include "../gmx_lapack.h"
@@ -33,7 +33,7 @@ F77_FUNC(slansy,SLANSY)(const char *norm, const char *uplo, int *n, float *a, in
 		i__2 = j;
 		for (i__ = 1; i__ <= i__2; ++i__) {
 		  d__2 = value;
-		  d__3 = fabs(a[i__ + j * a_dim1]);
+		  d__3 = std::abs(a[i__ + j * a_dim1]);
 		  value = (d__2>d__3) ? d__2 : d__3;
 		}
 	    }
@@ -43,7 +43,7 @@ F77_FUNC(slansy,SLANSY)(const char *norm, const char *uplo, int *n, float *a, in
 		i__2 = *n;
 		for (i__ = j; i__ <= i__2; ++i__) {
 		  d__2 = value;
-		  d__3 = fabs(a[i__ + j * a_dim1]);
+		  d__3 = std::abs(a[i__ + j * a_dim1]);
 		    value =  (d__2>d__3) ? d__2 : d__3;
 		}
 	    }
@@ -57,11 +57,11 @@ F77_FUNC(slansy,SLANSY)(const char *norm, const char *uplo, int *n, float *a, in
 		sum = 0.;
 		i__2 = j - 1;
 		for (i__ = 1; i__ <= i__2; ++i__) {
-		    absa = fabs(a[i__ + j * a_dim1]);
+		    absa = std::abs(a[i__ + j * a_dim1]);
 		    sum += absa;
 		    work[i__] += absa;
 		}
-		work[j] = sum + fabs(a[j + j * a_dim1]);
+		work[j] = sum + std::abs(a[j + j * a_dim1]);
 	    }
 	    i__1 = *n;
 	    for (i__ = 1; i__ <= i__1; ++i__) {
@@ -75,10 +75,10 @@ F77_FUNC(slansy,SLANSY)(const char *norm, const char *uplo, int *n, float *a, in
 	    }
 	    i__1 = *n;
 	    for (j = 1; j <= i__1; ++j) {
-		sum = work[j] + fabs(a[j + j * a_dim1]);
+		sum = work[j] + std::abs(a[j + j * a_dim1]);
 		i__2 = *n;
 		for (i__ = j + 1; i__ <= i__2; ++i__) {
-		    absa = fabs(a[i__ + j * a_dim1]);
+		    absa = std::abs(a[i__ + j * a_dim1]);
 		    sum += absa;
 		    work[i__] += absa;
 		}
@@ -106,7 +106,7 @@ F77_FUNC(slansy,SLANSY)(const char *norm, const char *uplo, int *n, float *a, in
 	sum *= 2;
 	i__1 = *lda + 1;
 	F77_FUNC(slassq,SLASSQ)(n, &a[a_offset], &i__1, &scale, &sum);
-	value = scale * sqrt(sum);
+	value = scale *  std::sqrt(sum);
     }
 
     ret_val = value;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slapy2.c b/src/gromacs/linearalgebra/gmx_lapack/slapy2.cpp
similarity index 68%
rename from src/gromacs/linearalgebra/gmx_lapack/slapy2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slapy2.cpp
index e7391db05f..895ee9315a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slapy2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slapy2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 #include "gromacs/utility/real.h"
@@ -9,8 +9,8 @@ F77_FUNC(slapy2,SLAPY2)(float * x, float * y)
   float xabs,yabs;
   float w,z;
 
-  xabs = fabs(*x);
-  yabs = fabs(*y);
+  xabs = std::abs(*x);
+  yabs = std::abs(*y);
   
   if(xabs>yabs) {
     w = xabs;
@@ -20,11 +20,11 @@ F77_FUNC(slapy2,SLAPY2)(float * x, float * y)
     z = xabs;
   }
 
-  if( fabs(z)<GMX_FLOAT_MIN) 
+  if( std::abs(z)<GMX_FLOAT_MIN) 
     return w;
   else {
     z = z/w;
-    return w*sqrt(1.0+z*z);
+    return w* std::sqrt(1.0+z*z);
   }
 }
   
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slar1vx.c b/src/gromacs/linearalgebra/gmx_lapack/slar1vx.cpp
similarity index 82%
rename from src/gromacs/linearalgebra/gmx_lapack/slar1vx.c
rename to src/gromacs/linearalgebra/gmx_lapack/slar1vx.cpp
index be09d642a3..8c6f9318db 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slar1vx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slar1vx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -91,12 +100,12 @@ L40:
 	s = work[inds + i__] - *sigma;
     }
 
-    if (! (s > 0. || s < 1.)) {
+    if (isnan(s)) {
 
 	sawnan = 1;
 	j = *b1 + 1;
 L60:
-	if (work[inds + j] > 0. || work[inds + j] < 1.) {
+    if (!isnan(work[inds + j])) {
 	    ++j;
 	    goto L60;
 	}
@@ -106,7 +115,7 @@ L60:
 	for (i__ = j + 1; i__ <= i__1; ++i__) {
 	    dplus = d__[i__] + s;
 	    work[i__] = ld[i__] / dplus;
-	    if (fabs(work[i__])<GMX_FLOAT_MIN) {
+	    if (std::abs(work[i__])<GMX_FLOAT_MIN) {
 		work[inds + i__] = lld[i__];
 	    } else {
 		work[inds + i__] = s * work[i__] * l[i__];
@@ -124,12 +133,12 @@ L60:
 	work[indp + i__ - 1] = work[indp + i__] * tmp - *sigma;
     }
     tmp = work[indp + r1 - 1];
-    if (! (tmp > 0. || tmp < 1.)) {
+    if (isnan(tmp)) {
 
 	sawnan = 1;
 	j = *bn - 3;
 L90:
-	if (work[indp + j] > 0. || work[indp + j] < 1.) {
+    if (!isnan(work[indp + j])) {
 	    --j;
 	    goto L90;
 	}
@@ -139,7 +148,7 @@ L90:
 	    dminus = lld[i__] + work[indp + i__];
 	    tmp = d__[i__] / dminus;
 	    work[indumn + i__] = l[i__] * tmp;
-	    if (fabs(tmp)<GMX_FLOAT_MIN) {
+	    if (std::abs(tmp)<GMX_FLOAT_MIN) {
 		work[indp + i__ - 1] = d__[i__] - *sigma;
 	    } else {
 		work[indp + i__ - 1] = work[indp + i__] * tmp - *sigma;
@@ -148,17 +157,17 @@ L90:
     }
 
     *mingma = work[inds + r1 - 1] + work[indp + r1 - 1];
-    if (fabs(*mingma)<GMX_FLOAT_MIN) {
+    if (std::abs(*mingma)<GMX_FLOAT_MIN) {
 	*mingma = eps * work[inds + r1 - 1];
     }
     *r__ = r1;
     i__1 = r2 - 1;
     for (i__ = r1; i__ <= i__1; ++i__) {
 	tmp = work[inds + i__] + work[indp + i__];
-	if (fabs(tmp)<GMX_FLOAT_MIN) {
+	if (std::abs(tmp)<GMX_FLOAT_MIN) {
 	    tmp = eps * work[inds + i__];
 	}
-	if (fabs(tmp) < fabs(*mingma)) {
+	if (std::abs(tmp) < std::abs(*mingma)) {
 	    *mingma = tmp;
 	    *r__ = i__ + 1;
 	}
@@ -179,7 +188,7 @@ L120:
 		z__[i__] = -(work[i__] * z__[i__ + 1]);
 		*ztz += z__[i__] * z__[i__];
 	    }
-	    if (fabs(z__[to]) <= eps && fabs(z__[to + 1]) <= eps) {
+	    if (std::abs(z__[to]) <= eps && std::abs(z__[to + 1]) <= eps) {
 		isuppz[1] = to + 2;
 	    } else {
 		from = to - 1;
@@ -198,7 +207,7 @@ L140:
 		z__[i__] = -(work[indumn + i__ - 1] * z__[i__ - 1]);
 		*ztz += z__[i__] * z__[i__];
 	    }
-	    if (fabs(z__[to]) <= eps && fabs(z__[to - 1]) <= eps) {
+	    if (std::abs(z__[to]) <= eps && std::abs(z__[to - 1]) <= eps) {
 		isuppz[2] = to - 2;
 	    } else {
 		from = to + 1;
@@ -210,12 +219,12 @@ L140:
     } else {
 	i__1 = *b1;
 	for (i__ = *r__ - 1; i__ >= i__1; --i__) {
-	    if (fabs(z__[i__ + 1])<GMX_FLOAT_MIN) {
+	    if (std::abs(z__[i__ + 1])<GMX_FLOAT_MIN) {
 		z__[i__] = -(ld[i__ + 1] / ld[i__]) * z__[i__ + 2];
 	    } else {
 		z__[i__] = -(work[i__] * z__[i__ + 1]);
 	    }
-	    if (fabs(z__[i__]) <= eps && fabs(z__[i__ + 1]) <= eps) {
+	    if (std::abs(z__[i__]) <= eps && std::abs(z__[i__ + 1]) <= eps) {
 		isuppz[1] = i__ + 2;
 		goto L170;
 	    }
@@ -224,12 +233,12 @@ L140:
 L170:
 	i__1 = *bn - 1;
 	for (i__ = *r__; i__ <= i__1; ++i__) {
-	    if (fabs(z__[i__])<GMX_FLOAT_MIN) {
+	    if (std::abs(z__[i__])<GMX_FLOAT_MIN) {
 		z__[i__ + 1] = -(ld[i__ - 1] / ld[i__]) * z__[i__ - 1];
 	    } else {
 		z__[i__ + 1] = -(work[indumn + i__] * z__[i__]);
 	    }
-	    if (fabs(z__[i__]) <= eps && fabs(z__[i__ + 1]) <= eps) {
+	    if (std::abs(z__[i__]) <= eps && std::abs(z__[i__ + 1]) <= eps) {
 		isuppz[2] = i__ - 1;
 		break;
 	    }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarf.c b/src/gromacs/linearalgebra/gmx_lapack/slarf.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/slarf.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarf.cpp
index ee3a03598c..c03416a9d3 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarf.cpp
@@ -1,5 +1,5 @@
-#include <math.h>
-#include <ctype.h>
+#include <cctype>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -17,7 +17,7 @@ F77_FUNC(slarf,SLARF)(const char *side,
        int *ldc,
        float *work)
 {
-  const char ch=toupper(*side);
+  const char ch=std::toupper(*side);
   float one = 1.0;
   float zero = 0.0;
   float minustau = -(*tau);
@@ -25,12 +25,12 @@ F77_FUNC(slarf,SLARF)(const char *side,
 
 
   if(ch=='L') {
-    if(fabs(*tau)>GMX_FLOAT_MIN) {
+    if(std::abs(*tau)>GMX_FLOAT_MIN) {
       F77_FUNC(sgemv,SGEMV)("T",m,n,&one,c,ldc,v,incv,&zero,work,&i1);
       F77_FUNC(sger,SGER)(m,n,&minustau,v,incv,work,&i1,c,ldc);
     }
   } else {
-    if(fabs(*tau)>GMX_FLOAT_MIN) {
+    if(std::abs(*tau)>GMX_FLOAT_MIN) {
       F77_FUNC(sgemv,SGEMV)("N",m,n,&one,c,ldc,v,incv,&zero,work,&i1);
       F77_FUNC(sger,SGER)(m,n,&minustau,work,&i1,v,incv,c,ldc);
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarfb.c b/src/gromacs/linearalgebra/gmx_lapack/slarfb.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/slarfb.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarfb.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarfg.c b/src/gromacs/linearalgebra/gmx_lapack/slarfg.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/slarfg.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarfg.cpp
index 4ea03cae30..27e52bd1c3 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarfg.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarfg.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -26,7 +26,7 @@ F77_FUNC(slarfg,SLARFG)(int   *n,
 
   xnorm = F77_FUNC(snrm2,SNRM2)(&ti1,x,incx);
 
-  if(fabs(xnorm)<GMX_FLOAT_MIN) {
+  if(std::abs(xnorm)<GMX_FLOAT_MIN) {
     *tau = 0.0;
   } else {
 
@@ -42,12 +42,12 @@ F77_FUNC(slarfg,SLARFG)(int   *n,
     safmin = minval*(1.0+GMX_FLOAT_EPS) / GMX_FLOAT_EPS;
 
         
-    if(fabs(beta)<safmin) {
+    if(std::abs(beta)<safmin) {
 
       knt = 0;
       rsafmn = 1.0 / safmin;
       
-      while(fabs(beta)<safmin) {
+      while(std::abs(beta)<safmin) {
 	knt++;
 	ti1 = *n-1;
 	F77_FUNC(sscal,SSCAL)(&ti1,&rsafmn,x,incx);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarft.c b/src/gromacs/linearalgebra/gmx_lapack/slarft.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/slarft.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarft.cpp
index 4e6b9a5db0..50eca126ce 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarft.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarft.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -40,7 +40,7 @@ F77_FUNC(slarft,SLARFT)(const char *direct,
     if (*direct=='F' || *direct=='f') {
 	i__1 = *k;
 	for (i__ = 1; i__ <= i__1; ++i__) {
-	    if (fabs(tau[i__])<GMX_FLOAT_MIN) {
+	    if (std::abs(tau[i__])<GMX_FLOAT_MIN) {
 
 		i__2 = i__;
 		for (j = 1; j <= i__2; ++j) {
@@ -78,7 +78,7 @@ F77_FUNC(slarft,SLARFT)(const char *direct,
 	}
     } else {
 	for (i__ = *k; i__ >= 1; --i__) {
-	    if (fabs(tau[i__])<GMX_FLOAT_MIN) {
+	    if (std::abs(tau[i__])<GMX_FLOAT_MIN) {
 
 		i__1 = *k;
 		for (j = i__; j <= i__1; ++j) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarnv.c b/src/gromacs/linearalgebra/gmx_lapack/slarnv.cpp
similarity index 82%
rename from src/gromacs/linearalgebra/gmx_lapack/slarnv.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarnv.cpp
index 325ffd2674..d05120b636 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarnv.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarnv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -44,9 +44,8 @@ F77_FUNC(slarnv,SLARNV)(int *idist,
 
 	    i__2 = il;
 	    for (i__ = 1; i__ <= i__2; ++i__) {
-		x[iv + i__ - 1] = sqrt(log(u[(i__ << 1) - 2]) * -2.) * 
-		  cos(u[(i__ << 1) - 1] * 
-		      (float)6.2831853071795864769252867663);
+                x[iv + i__ - 1] =  std::sqrt(std::log(u[(i__ << 1) - 2]) * -2.) * 
+		  std::cos(u[(i__ << 1) - 1] * (float)6.2831853071795864769252867663);
 	    }
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarrbx.c b/src/gromacs/linearalgebra/gmx_lapack/slarrbx.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/gmx_lapack/slarrbx.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarrbx.cpp
index 33f2e431fd..1dfe33300e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarrbx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarrbx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -31,9 +40,9 @@ F77_FUNC(slarrbx,SLARRBX)(int *n,
     int i1, i2, ii, kk;
     float fac, gap, mid;
     int cnt;
-    float eps, tmp, left;
+    float tmp, left;
     int nint, prev, next, nleft;
-    float right, width, dplus, error;
+    float right, width, dplus;
     int nright, olnint;
     k = 0;
     right = 0.0;
@@ -49,7 +58,6 @@ F77_FUNC(slarrbx,SLARRBX)(int *n,
     --d__;
 
     *info = 0;
-    eps = GMX_FLOAT_EPS;
     i__1 = *n << 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	iwork[i__] = 0;
@@ -59,16 +67,6 @@ F77_FUNC(slarrbx,SLARRBX)(int *n,
     prev = 0;
     i__1 = *ilast;
     for (i__ = *ifirst; i__ <= i__1; ++i__) {
-	ii = i__ - *offset;
-	if (i__ == *ifirst) {
-	    gap = wgap[ii];
-	} else if (i__ == *ilast) {
-	    gap = wgap[ii - 1];
-	} else {
-	    d__1 = wgap[ii - 1], d__2 = wgap[ii];
-	    gap = (d__1<d__2) ? d__1 : d__2;
-	}
-	error = werr[ii];
 	k = i__ << 1;
 	iwork[k - 1] = 1;
 	i2 = i__;
@@ -103,7 +101,7 @@ L40:
 		if (dplus < 0.) {
 		    ++cnt;
 		}
-		if (! (s > 0. || s < 1.)) {
+		if (isnan(s)) {
 
 		    cnt = 0;
 		    s = -left;
@@ -114,7 +112,7 @@ L40:
 			    ++cnt;
 			}
 			tmp = lld[j] / dplus;
-			if (fabs(tmp)<GMX_FLOAT_MIN) {
+			if (std::abs(tmp)<GMX_FLOAT_MIN) {
 			    s = lld[j] - left;
 			} else {
 			    s = s * tmp - left;
@@ -150,7 +148,7 @@ L60:
 	    if (dplus < 0.) {
 		++cnt;
 	    }
-	    if (! (s > 0. || s < 1.)) {
+	    if (isnan(s)) {
 
 		cnt = 0;
 		s = -right;
@@ -161,7 +159,7 @@ L60:
 			++cnt;
 		    }
 		    tmp = lld[j] / dplus;
-		    if (fabs(tmp)<GMX_FLOAT_MIN) {
+		    if (std::abs(tmp)<GMX_FLOAT_MIN) {
 			s = lld[j] - right;
 		    } else {
 			s = s * tmp - right;
@@ -215,8 +213,8 @@ L80:
 	nright = iwork[k];
 	mid = (left + right) * .5;
 	width = right - mid;
-	d__1 = fabs(left);
-	d__2 = fabs(right);
+	d__1 = std::abs(left);
+	d__2 = std::abs(right);
 	tmp = (d__1>d__2) ? d__1 : d__2;
 
 	gap = 0.;
@@ -267,7 +265,7 @@ L80:
 	if (dplus < 0.) {
 	    ++cnt;
 	}
-	if (! (s > 0. || s < 1.)) {
+	if (isnan(s)) {
 	    cnt = 0;
 	    s = -mid;
 	    i__2 = *n - 1;
@@ -277,7 +275,7 @@ L80:
 		    ++cnt;
 		}
 		tmp = lld[j] / dplus;
-		if (fabs(tmp)<GMX_FLOAT_MIN) {
+		if (std::abs(tmp)<GMX_FLOAT_MIN) {
 		    s = lld[j] - mid;
 		} else {
 		    s = s * tmp - mid;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarrex.c b/src/gromacs/linearalgebra/gmx_lapack/slarrex.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/slarrex.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarrex.cpp
index 07028ef00d..bb64970a68 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarrex.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarrex.cpp
@@ -1,5 +1,14 @@
-#include <math.h>
-#include <ctype.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -80,7 +89,7 @@ F77_FUNC(slarrex,SLARREX)(const char *range,
     *nsplit = 1;
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__]) <= *tol) {
+	if (std::abs(e[i__]) <= *tol) {
 	    isplit[*nsplit] = i__;
 	    ++(*nsplit);
 	}
@@ -102,19 +111,19 @@ F77_FUNC(slarrex,SLARREX)(const char *range,
 	}
 	in = iend - ibegin + 1;
 
-	gl = d__[ibegin] - fabs(e[ibegin]);
-	gu = d__[ibegin] + fabs(e[ibegin]);
+	gl = d__[ibegin] - std::abs(e[ibegin]);
+	gu = d__[ibegin] + std::abs(e[ibegin]);
 	gersch[(ibegin << 1) - 1] = gl;
 	gersch[ibegin * 2] = gu;
-	gersch[(iend << 1) - 1] = d__[iend] - fabs(e[iend - 1]);
-	gersch[iend * 2] = d__[iend] + fabs(e[iend - 1]);
+	gersch[(iend << 1) - 1] = d__[iend] - std::abs(e[iend - 1]);
+	gersch[iend * 2] = d__[iend] + std::abs(e[iend - 1]);
 	d__1 = gersch[(iend << 1) - 1];
 	gl = (d__1<gl) ? d__1 : gl;
 	d__1 = gersch[iend * 2];
 	gu = (d__1>gu) ? d__1 : gu;
 	i__2 = iend - 1;
 	for (i__ = ibegin + 1; i__ <= i__2; ++i__) {
-	    offd = fabs(e[i__ - 1]) + fabs(e[i__]);
+	    offd = std::abs(e[i__ - 1]) + std::abs(e[i__]);
 	    gersch[(i__ << 1) - 1] = d__[i__] - offd;
 	    d__1 = gersch[(i__ << 1) - 1];
 	    gl = (d__1<gl) ? d__1 : gl;
@@ -122,7 +131,7 @@ F77_FUNC(slarrex,SLARREX)(const char *range,
 	    d__1 = gersch[i__ * 2];
 	    gu = (d__1>gu) ? d__1 : gu;
 	}
-	d__1 = fabs(gl), d__2 = fabs(gu);
+	d__1 = std::abs(gl), d__2 = std::abs(gu);
 	nrm = (d__1>d__2) ? d__1 : d__2;
 
 	width = gu - gl;
@@ -183,7 +192,7 @@ L60:
 	}
 	for (i__ = in; i__ >= 1; --i__) {
 	    tmp = sgndef * work[i__];
-	    if (tmp < 0. || fabs(work[(in << 1) + i__])<GMX_FLOAT_MIN || ! (tmp > 0. || tmp < 1.)) {
+	    if (tmp < 0. || std::abs(work[(in << 1) + i__])<GMX_FLOAT_MIN || isnan(tmp)) {
 		delta *= 2.;
 		goto L60;
 	    }
@@ -238,7 +247,7 @@ L100:
 
 	for (i__ = in; i__ >= 1; --i__) {
 	    tmp = sgndef * work[i__];
-	    if (tmp < 0. || fabs(work[(in << 1) + i__])<GMX_FLOAT_MIN || ! (tmp > 0. || tmp < 1.)) {
+	    if (tmp < 0. || std::abs(work[(in << 1) + i__])<GMX_FLOAT_MIN || isnan(tmp)) {
 		delta *= 2.;
 		goto L100;
 	    }
@@ -249,7 +258,7 @@ L100:
 	i__2 = in - 1;
 	F77_FUNC(scopy,SCOPY)(&i__2, &work[in + 1], &c__1, &e[ibegin], &c__1);
 	e[iend] = sigma;
-	tmp = (float) in * 4. * eps * (fabs(sigma) + fabs(tau));
+	tmp = (float) in * 4. * eps * (std::abs(sigma) + std::abs(tau));
 	i__2 = iend;
 	for (i__ = ibegin; i__ <= i__2; ++i__) {
 	    gersch[(i__ << 1) - 1] = gersch[(i__ << 1) - 1] - sigma - tmp;
@@ -259,11 +268,11 @@ L100:
 	j = ibegin;
 	i__2 = in - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	    work[(i__ << 1) - 1] = fabs(d__[j]);
+	    work[(i__ << 1) - 1] = std::abs(d__[j]);
 	    work[i__ * 2] = e[j] * e[j] * work[(i__ << 1) - 1];
 	    ++j;
 	}
-	work[(in << 1) - 1] = fabs(d__[iend]);
+	work[(in << 1) - 1] = std::abs(d__[iend]);
 
 	F77_FUNC(slasq2,SLASQ2)(&in, &work[1], info);
 	if (*info != 0) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarrfx.c b/src/gromacs/linearalgebra/gmx_lapack/slarrfx.cpp
similarity index 74%
rename from src/gromacs/linearalgebra/gmx_lapack/slarrfx.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarrfx.cpp
index 65c906d7d3..11b0c62c61 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarrfx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarrfx.cpp
@@ -1,4 +1,13 @@
-#include <math.h>
+#ifdef _MSC_VER
+// MSVC does not provide isnan(), but it has _isnan()
+#    include <float.h>
+#    define isnan _isnan
+#else
+// we borrow isnan from C since it is not in std:: until c++11
+#   include <math.h>
+#endif
+
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -44,17 +53,17 @@ F77_FUNC(slarrfx,SLARRFX)(int *n,
 L10:
     s = -(*sigma);
     dplus[1] = d__[1] + s;
-    dmax1 = fabs(dplus[1]);
+    dmax1 = std::abs(dplus[1]);
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	lplus[i__] = ld[i__] / dplus[i__];
 	s = s * lplus[i__] * l[i__] - *sigma;
 	dplus[i__ + 1] = d__[i__ + 1] + s;
-	d__2 = dmax1, d__3 = fabs(dplus[i__ + 1]);
+	d__2 = dmax1, d__3 = std::abs(dplus[i__ + 1]);
 	dmax1 = (d__2>d__3) ? d__2 : d__3;
     }
-    if (! (dmax1 > 0. || dmax1 < 1.)) {
-	*sigma -= fabs(*sigma) * delta;
+    if (isnan(dmax1)) {
+	*sigma -= std::abs(*sigma) * delta;
 	delta *= 2.;
 	goto L10;
     }
@@ -64,17 +73,17 @@ L10:
 L30:
     s = -tmp;
     work[1] = d__[1] + s;
-    dmax2 = fabs(work[1]);
+    dmax2 = std::abs(work[1]);
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
 	work[*n + i__] = ld[i__] / work[i__];
 	s = s * work[*n + i__] * l[i__] - tmp;
 	work[i__ + 1] = d__[i__ + 1] + s;
-	d__2 = dmax2, d__3 = fabs(work[i__ + 1]);
+	d__2 = dmax2, d__3 = std::abs(work[i__ + 1]);
 	dmax2 = (d__2>d__3) ? d__2 : d__3;
     }
-    if (! (dmax2 > 0. || dmax2 < 1.)) {
-	tmp += fabs(tmp) * delta;
+    if (isnan(dmax2)) {
+	tmp += std::abs(tmp) * delta;
 	delta *= 2.;
 	goto L30;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slarrvx.c b/src/gromacs/linearalgebra/gmx_lapack/slarrvx.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/slarrvx.c
rename to src/gromacs/linearalgebra/gmx_lapack/slarrvx.cpp
index 296d99bf7f..ad2ab69864 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slarrvx.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slarrvx.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -132,11 +132,11 @@ L171:
 	F77_FUNC(scopy,SCOPY)(&im, &w[wbegin], &c__1, &work[1], &c__1);
 	i__2 = im - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	    work[inderr + i__] = eps * fabs(work[i__]);
+	    work[inderr + i__] = eps * std::abs(work[i__]);
 	    work[indgap + i__] = work[i__ + 1] - work[i__];
 	}
-	work[inderr + im] = eps * fabs(work[im]);
-	d__2 = fabs(work[im]);
+	work[inderr + im] = eps * std::abs(work[im]);
+	d__2 = std::abs(work[im]);
 	work[indgap + im] = (d__2>eps) ? d__2 : eps;
 	ndone = 0;
 
@@ -197,11 +197,11 @@ L40:
 		i__3 = oldlst;
 		for (j = oldfst; j <= i__3; ++j) {
 		    if (j == oldlst || work[indgap + j] >= 
-			reltol * fabs(work[j])) {
+			reltol * std::abs(work[j])) {
 			newlst = j;
 		    } else {
 
-			relgap = work[indgap + j] / fabs(work[j]);
+			relgap = work[indgap + j] / std::abs(work[j]);
 			if (j == newfrs) {
 			    minrgp = relgap;
 			} else {
@@ -220,7 +220,7 @@ L40:
 				z_dim1], &z__[ibegin + (newftt + 1) * z_dim1],
 				 &work[indwrk], info);
 			if (*info == 0) {
-			    tmp = eps * fabs(sigma);
+			    tmp = eps * std::abs(sigma);
 			    i__4 = newlst;
 			    for (k = newfrs; k <= i__4; ++k) {
 				work[k] -= sigma;
@@ -234,9 +234,7 @@ L40:
 			    iwork[k] = newlst;
 			} else {
 			    *info = 0;
-			    if (minrgp >= mgstol) {
-				nomgs = 0;
-			    } else {
+			    if (minrgp < mgstol) {
 
 				work[indwrk] = d__[ibegin];
 				i__4 = in - 1;
@@ -281,8 +279,8 @@ L90:
 				    &ztz, &mingma, &iwork[iindr + ktot], &
 				    isuppz[(ktot << 1) - 1], &work[indwrk]);
 			    tmp = 1. / ztz;
-			    nrminv = sqrt(tmp);
-			    resid = fabs(mingma) * nrminv;
+			    nrminv =  std::sqrt(tmp);
+			    resid = std::abs(mingma) * nrminv;
 			    rqcorr = mingma * tmp;
 			    if (k == in) {
 				gap = work[indgap + k - 1];
@@ -294,8 +292,8 @@ L90:
 				gap = (d__1<d__2) ? d__1 : d__2;
 			    }
 			    ++iter;
-			    if (resid > *tol * gap && fabs(rqcorr) > eps * 4. *
-				     fabs(lambda)) {
+			    if (resid > *tol * gap && std::abs(rqcorr) > eps * 4. *
+				     std::abs(lambda)) {
 				work[k] = lambda + rqcorr;
 				if (iter < 8) {
 				    goto L90;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slartg.c b/src/gromacs/linearalgebra/gmx_lapack/slartg.cpp
similarity index 69%
rename from src/gromacs/linearalgebra/gmx_lapack/slartg.c
rename to src/gromacs/linearalgebra/gmx_lapack/slartg.cpp
index 79f7c20fe9..567642b07b 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slartg.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slartg.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -18,24 +18,24 @@ F77_FUNC(slartg,SLARTG)(float *f,
   eps = GMX_FLOAT_EPS;
   minval = GMX_FLOAT_MIN;
   safemin = minval*(1.0+eps);
-  n = 0.5*log( safemin/eps ) / log(2);
-  safemin2 = pow(2,n);
+  n = static_cast<int>(0.5*std::log( safemin/eps ) / std::log(2.0));
+  safemin2 = std::pow(static_cast<float>(2.0),static_cast<float>(n));
 
   safemx2 = 1.0 / safemin2;
 
-  if(fabs(*g)<GMX_FLOAT_MIN) {
+  if(std::abs(*g)<GMX_FLOAT_MIN) {
     *cs = 1.0;
     *sn = 0.0;
     *r = *f;
-  } else if (fabs(*f)<GMX_FLOAT_MIN) {
+  } else if (std::abs(*f)<GMX_FLOAT_MIN) {
     *cs = 0.0;
     *sn = 1.0;
     *r = *g;
   } else {
     f1 = *f;
     g1 = *g;
-    f1a = fabs(f1);
-    g1a = fabs(g1);
+    f1a = std::abs(f1);
+    g1a = std::abs(g1);
     scale = (f1a > g1a) ? f1a : g1a;
     if(scale >= safemx2) {
       count = 0;
@@ -43,11 +43,11 @@ F77_FUNC(slartg,SLARTG)(float *f,
 	count++;
 	f1 *= safemin2;
 	g1 *= safemin2;
-	f1a = fabs(f1);
-	g1a = fabs(g1);
+	f1a = std::abs(f1);
+	g1a = std::abs(g1);
 	scale = (f1a > g1a) ? f1a : g1a;
       }
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
       for(i=0;i<count;i++)
@@ -58,21 +58,21 @@ F77_FUNC(slartg,SLARTG)(float *f,
 	count++;
 	f1 *= safemx2;
 	g1 *= safemx2;
-	f1a = fabs(f1);
-	g1a = fabs(g1);
+	f1a = std::abs(f1);
+	g1a = std::abs(g1);
 	scale = (f1a > g1a) ? f1a : g1a;
       }
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
       for(i=0;i<count;i++)
 	*r *= safemin2;
     } else {
-      *r = sqrt(f1*f1 + g1*g1);
+      *r =  std::sqrt(f1*f1 + g1*g1);
       *cs = f1 / *r;
       *sn = g1 / *r;
     }
-    if(fabs(*f)>fabs(*g) && *cs<0.0) {
+    if(std::abs(*f)>std::abs(*g) && *cs<0.0) {
       *cs *= -1.0;
       *sn *= -1.0;
       *r  *= -1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaruv.c b/src/gromacs/linearalgebra/gmx_lapack/slaruv.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slaruv.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaruv.cpp
index 491043e25d..e832f8e7e9 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slaruv.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slaruv.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slas2.c b/src/gromacs/linearalgebra/gmx_lapack/slas2.cpp
similarity index 70%
rename from src/gromacs/linearalgebra/gmx_lapack/slas2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slas2.cpp
index c660aa8a0d..cb85b6a481 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slas2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slas2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -10,25 +10,25 @@ F77_FUNC(slas2,SLAS2)(float *f,
        float *ssmin,
        float *ssmax)
 {
-  float fa = fabs(*f);
-  float ga = fabs(*g);
-  float ha = fabs(*h);
+  float fa = std::abs(*f);
+  float ga = std::abs(*g);
+  float ha = std::abs(*h);
   float fhmin,fhmax,tmax,tmin,tmp1,tmp2;
   float as,at,au,c;
 
   fhmin = (fa<ha) ? fa : ha;
   fhmax = (fa>ha) ? fa : ha;
   
-  if(fabs(fhmin)<GMX_FLOAT_MIN) {
+  if(std::abs(fhmin)<GMX_FLOAT_MIN) {
     *ssmin = 0.0;
-    if(fabs(fhmax)<GMX_FLOAT_MIN) 
+    if(std::abs(fhmax)<GMX_FLOAT_MIN) 
       *ssmax = ga;
     else {
       tmax = (fhmax>ga) ? fhmax : ga;
       tmin = (fhmax<ga) ? fhmax : ga;
       tmp1 = tmin / tmax;
       tmp1 = tmp1 * tmp1;
-      *ssmax = tmax*sqrt(1.0 + tmp1);
+      *ssmax = tmax* std::sqrt(1.0 + tmp1);
     }
   } else {
     if(ga<fhmax) {
@@ -36,12 +36,12 @@ F77_FUNC(slas2,SLAS2)(float *f,
       at = (fhmax-fhmin) / fhmax;
       au = (ga/fhmax);
       au = au * au;
-      c = 2.0 / ( sqrt(as*as+au) + sqrt(at*at+au) );
+      c = 2.0 / (  std::sqrt(as*as+au) + std::sqrt(at*at+au) );
       *ssmin = fhmin * c;
       *ssmax = fhmax / c;
     } else {
       au = fhmax / ga;
-      if(fabs(au)<GMX_FLOAT_MIN) {
+      if(std::abs(au)<GMX_FLOAT_MIN) {
 	*ssmin = (fhmin*fhmax)/ga;
 	*ssmax = ga;
       } else {
@@ -49,7 +49,7 @@ F77_FUNC(slas2,SLAS2)(float *f,
 	at = (fhmax-fhmin)/fhmax;
 	tmp1 = as*au;
 	tmp2 = at*au;
-	c = 1.0 / ( sqrt(1.0+tmp1*tmp1) + sqrt(1.0+tmp2*tmp2));
+	c = 1.0 / (  std::sqrt(1.0+tmp1*tmp1) + std::sqrt(1.0+tmp2*tmp2));
 	*ssmin = (fhmin*c)*au;
 	*ssmin = *ssmin + *ssmin;
 	*ssmax = ga / (c+c);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slascl.c b/src/gromacs/linearalgebra/gmx_lapack/slascl.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/slascl.c
rename to src/gromacs/linearalgebra/gmx_lapack/slascl.cpp
index e454fc6034..e3ff8f47f4 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slascl.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slascl.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -18,7 +18,7 @@ F77_FUNC(slascl,SLASCL)(const char *type,
                         int *lda,
                         int *info)
 {
-  const char ch=toupper(*type);
+  const char ch=std::toupper(*type);
   int i,j,k,l,k1,k2,k3,k4;
   int done=0;
   float minval,smlnum,bignum;
@@ -39,11 +39,11 @@ F77_FUNC(slascl,SLASCL)(const char *type,
     cfrom1 = cfromc * smlnum;
     cto1   = ctoc / bignum;
 
-    if(fabs(cfrom1)>fabs(ctoc) && fabs(ctoc)>GMX_FLOAT_MIN) {
+    if(std::abs(cfrom1)>std::abs(ctoc) && std::abs(ctoc)>GMX_FLOAT_MIN) {
       mul = smlnum;
       done = 0;
       cfromc = cfrom1;
-    } else if(fabs(cto1)>fabs(cfromc)) {
+    } else if(std::abs(cto1)>std::abs(cfromc)) {
       mul = bignum;
       done = 0;
       ctoc = cto1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd0.c b/src/gromacs/linearalgebra/gmx_lapack/slasd0.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd0.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd0.cpp
index fbe60fc9c8..24034ed7ad 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd0.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd0.cpp
@@ -54,7 +54,6 @@ F77_FUNC(slasd0,SLASD0)(int *n,
 	*info = -9;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd1.c b/src/gromacs/linearalgebra/gmx_lapack/slasd1.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd1.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd1.cpp
index af10fe7e64..44da3e4adb 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd1.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd1.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void 
@@ -51,7 +51,6 @@ F77_FUNC(slasd1,SLASD1)(int *nl,
 	*info = -3;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -73,14 +72,14 @@ F77_FUNC(slasd1,SLASD1)(int *nl,
     coltyp = idxc + n;
     idxp = coltyp + n;
 
-    d__1 = fabs(*alpha);
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha);
+    d__2 = std::abs(*beta);
     orgnrm = (d__1>d__2) ? d__1 : d__2;
     d__[*nl + 1] = 0.;
     i__1 = n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(d__[i__]) > orgnrm) {
-	    orgnrm = fabs(d__[i__]);
+	if (std::abs(d__[i__]) > orgnrm) {
+	    orgnrm = std::abs(d__[i__]);
 	}
     }
     F77_FUNC(slascl,SLASCL)("G", &c__0, &c__0, &orgnrm, &one, &n, &c__1, &d__[1], &n, info);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd2.c b/src/gromacs/linearalgebra/gmx_lapack/slasd2.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd2.cpp
index 2f016ff4de..d46c5fb1e0 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -123,16 +123,16 @@ F77_FUNC(slasd2,SLASD2)(int *nl,
     }
 
     eps = GMX_FLOAT_EPS;
-    d__1 = fabs(*alpha), d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha), d__2 = std::abs(*beta);
     tol = (d__1 > d__2) ? d__1 : d__2;
-    d__2 = fabs(d__[n]);
+    d__2 = std::abs(d__[n]);
     tol = eps * 8. * ((d__2 > tol) ? d__2 : tol);
 
     *k = 1;
     k2 = n + 1;
     i__1 = n;
     for (j = 2; j <= i__1; ++j) {
-	if (fabs(z__[j]) <= tol) {
+	if (std::abs(z__[j]) <= tol) {
 
 	    --k2;
 	    idxp[k2] = j;
@@ -152,14 +152,14 @@ L100:
     if (j > n) {
 	goto L110;
     }
-    if (fabs(z__[j]) <= tol) {
+    if (std::abs(z__[j]) <= tol) {
 
 	--k2;
 	idxp[k2] = j;
 	coltyp[j] = 4;
     } else {
 
-	if (fabs(d__[j] - d__[jprev]) <= tol) {
+	if (std::abs(d__[j] - d__[jprev]) <= tol) {
 
             s = z__[jprev];
 	    c__ = z__[j];
@@ -243,7 +243,7 @@ L120:
 
     dsigma[1] = 0.;
     hlftol = tol / 2.;
-    if (fabs(dsigma[2]) <= hlftol) {
+    if (std::abs(dsigma[2]) <= hlftol) {
 	dsigma[2] = hlftol;
     }
     if (m > n) {
@@ -257,7 +257,7 @@ L120:
 	    s = z__[m] / z__[1];
 	}
     } else {
-	if (fabs(z1) <= tol) {
+	if (std::abs(z1) <= tol) {
 	    z__[1] = tol;
 	} else {
 	    z__[1] = z1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd3.c b/src/gromacs/linearalgebra/gmx_lapack/slasd3.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd3.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd3.cpp
index f58876fde5..394a2978aa 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd3.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd3.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -38,10 +38,6 @@ F77_FUNC(slasd3,SLASD3)(int *nl,
     int c__0 = 0;
     float zero = 0.0;
     float one = 1.0;
-    float *p1,*p2,t1,t2;
-
-    p1 = &t1;
-    p2 = &t2;
 
     --d__;
     q_dim1 = *ldq;
@@ -81,7 +77,7 @@ F77_FUNC(slasd3,SLASD3)(int *nl,
     nlp2 = *nl + 2;
 
     if (*k == 1) {
-	d__[1] = fabs(z__[1]);
+	d__[1] = std::abs(z__[1]);
 	F77_FUNC(scopy,SCOPY)(&m, &vt2[vt2_dim1 + 1], ldvt2, &vt[vt_dim1 + 1], ldvt);
 	if (z__[1] > 0.) {
 	    F77_FUNC(scopy,SCOPY)(&n, &u2[u2_dim1 + 1], &c__1, &u[u_dim1 + 1], &c__1);
@@ -94,16 +90,6 @@ F77_FUNC(slasd3,SLASD3)(int *nl,
 	return;
     }
 
-    i__1 = *k;
-    for (i__ = 1; i__ <= i__1; ++i__) {
-      t1 = dsigma[i__];
-      t2 = dsigma[i__];
-      /* force store and reload from memory */
-      t1 = (*p1) + (*p2) - dsigma[i__];
-
-      dsigma[i__] = t1;
-    }
-
     F77_FUNC(scopy,SCOPY)(k, &z__[1], &c__1, &q[q_offset], &c__1);
 
     rho = F77_FUNC(snrm2,SNRM2)(k, &z__[1], &c__1);
@@ -134,7 +120,7 @@ F77_FUNC(slasd3,SLASD3)(int *nl,
 	    z__[i__] *= u[i__ + j * u_dim1] * vt[i__ + j * vt_dim1] / (dsigma[
 		    i__] - dsigma[j + 1]) / (dsigma[i__] + dsigma[j + 1]);
 	}
-	d__2 = sqrt(fabs(z__[i__]));
+	d__2 =  std::sqrt(std::abs(z__[i__]));
 	z__[i__] = (q[i__ + q_dim1] > 0) ? d__2 : -d__2;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd4.c b/src/gromacs/linearalgebra/gmx_lapack/slasd4.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd4.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd4.cpp
index 194a949cf0..003a88ff0e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd4.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd4.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -47,7 +47,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
     *info = 0;
     if (*n == 1) {
 
-	*sigma = sqrt(d__[1] * d__[1] + *rho * z__[1] * z__[1]);
+	*sigma =  std::sqrt(d__[1] * d__[1] + *rho * z__[1] * z__[1]);
 	delta[1] = 1.;
 	work[1] = 1.;
 	return;
@@ -67,7 +67,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 
 	temp = *rho / 2.;
 
-	temp1 = temp / (d__[*n] + sqrt(d__[*n] * d__[*n] + temp));
+	temp1 = temp / (d__[*n] +  std::sqrt(d__[*n] * d__[*n] + temp));
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    work[j] = d__[j] + d__[*n] + temp1;
@@ -85,7 +85,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		n] / (delta[*n] * work[*n]);
 
 	if (w <= 0.) {
-	    temp1 = sqrt(d__[*n] * d__[*n] + *rho);
+	    temp1 =  std::sqrt(d__[*n] * d__[*n] + *rho);
 	    temp = z__[*n - 1] * z__[*n - 1] / ((d__[*n - 1] + temp1) * (d__[*
 		    n] - d__[*n - 1] + *rho / (d__[*n] + temp1))) + z__[*n] * 
 		    z__[*n] / *rho;
@@ -98,9 +98,9 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 			n];
 		b = z__[*n] * z__[*n] * delsq;
 		if (a < 0.) {
-		    tau = b * 2. / (sqrt(a * a + b * 4. * c__) - a);
+		    tau = b * 2. / ( std::sqrt(a * a + b * 4. * c__) - a);
 		} else {
-		    tau = (a + sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
+		    tau = (a +  std::sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
 		}
 	    }
 
@@ -110,14 +110,14 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    b = z__[*n] * z__[*n] * delsq;
 
 	    if (a < 0.) {
-		tau = b * 2. / (sqrt(a * a + b * 4. * c__) - a);
+		tau = b * 2. / ( std::sqrt(a * a + b * 4. * c__) - a);
 	    } else {
-		tau = (a + sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
+		tau = (a +  std::sqrt(a * a + b * 4. * c__)) / (c__ * 2.);
 	    }
 
 	}
 
-	eta = tau / (d__[*n] + sqrt(d__[*n] * d__[*n] + tau));
+	eta = tau / (d__[*n] +  std::sqrt(d__[*n] * d__[*n] + tau));
 
 	*sigma = d__[*n] + eta;
 	i__1 = *n;
@@ -136,17 +136,17 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	temp = z__[*n] / (delta[*n] * work[*n]);
 	phi = z__[*n] * temp;
 	dphi = temp * temp;
-	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (dpsi 
+	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (dpsi 
 		+ dphi);
 
 	w = rhoinv + phi + psi;
 
-	if (fabs(w) <= eps * erretm) {
+	if (std::abs(w) <= eps * erretm) {
 	    goto L240;
 	}
 
@@ -157,14 +157,14 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	a = (dtnsq + dtnsq1) * w - dtnsq * dtnsq1 * (dpsi + dphi);
 	b = dtnsq * dtnsq1 * w;
 	if (c__ < 0.) {
-	    c__ = fabs(c__);
+	    c__ = std::abs(c__);
 	}
-	if ( fabs(c__)<GMX_FLOAT_MIN) {
+	if ( std::abs(c__)<GMX_FLOAT_MIN) {
 	    eta = *rho - *sigma * *sigma;
 	} else if (a >= 0.) {
-	    eta = (a + sqrt(fabs(a * a - b * 4. * c__))) / (c__  * 2.);
+	    eta = (a +  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__  * 2.);
 	} else {
-	  eta = b * 2. / (a - sqrt(fabs(a * a - b * 4. * c__)));
+	  eta = b * 2. / (a -  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	}
 
 	if (w * eta > 0.) {
@@ -176,7 +176,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	}
 
 	tau += eta;
-	eta /= *sigma + sqrt(eta + *sigma * *sigma);
+	eta /= *sigma +  std::sqrt(eta + *sigma * *sigma);
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    delta[j] -= eta;
@@ -195,12 +195,12 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	temp = z__[*n] / (work[*n] * delta[*n]);
 	phi = z__[*n] * temp;
 	dphi = temp * temp;
-	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (dpsi 
+	erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (dpsi 
 		+ dphi);
 
 	w = rhoinv + phi + psi;
@@ -209,7 +209,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 
 	for (niter = iter; niter <= 20; ++niter) {
 
-	    if (fabs(w) <= eps * erretm) {
+	    if (std::abs(w) <= eps * erretm) {
 		goto L240;
 	    }
 	    dtnsq1 = work[*n - 1] * delta[*n - 1];
@@ -218,9 +218,9 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    a = (dtnsq + dtnsq1) * w - dtnsq1 * dtnsq * (dpsi + dphi);
 	    b = dtnsq1 * dtnsq * w;
 	    if (a >= 0.) {
-		eta = (a + sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		eta = (a +  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    } else {
-	      eta = b * 2. / (a - sqrt(fabs(a * a - b * 4. * c__)));
+	      eta = b * 2. / (a -  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    }
 
 	    if (w * eta > 0.) {
@@ -232,7 +232,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    }
 
 	    tau += eta;
-	    eta /= *sigma + sqrt(eta + *sigma * *sigma);
+	    eta /= *sigma +  std::sqrt(eta + *sigma * *sigma);
 	    i__1 = *n;
 	    for (j = 1; j <= i__1; ++j) {
 		delta[j] -= eta;
@@ -251,12 +251,12 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		dpsi += temp * temp;
 		erretm += psi;
 	    }
-	    erretm = fabs(erretm);
+	    erretm = std::abs(erretm);
 
 	    temp = z__[*n] / (work[*n] * delta[*n]);
 	    phi = z__[*n] * temp;
 	    dphi = temp * temp;
-	    erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + fabs(tau) * (
+	    erretm = (-phi - psi) * 8. + erretm - phi + rhoinv + std::abs(tau) * (
 		    dpsi + dphi);
 
 	    w = rhoinv + phi + psi;
@@ -272,7 +272,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 
 	delsq = (d__[ip1] - d__[*i__]) * (d__[ip1] + d__[*i__]);
 	delsq2 = delsq / 2.;
-	temp = delsq2 / (d__[*i__] + sqrt(d__[*i__] * d__[*i__] + delsq2));
+	temp = delsq2 / (d__[*i__] +  std::sqrt(d__[*i__] * d__[*i__] + delsq2));
 	i__1 = *n;
 	for (j = 1; j <= i__1; ++j) {
 	    work[j] = d__[j] + d__[*i__] + temp;
@@ -302,11 +302,11 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    a = c__ * delsq + z__[*i__] * z__[*i__] + z__[ip1] * z__[ip1];
 	    b = z__[*i__] * z__[*i__] * delsq;
 	    if (a > 0.) {
-		tau = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		tau = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    } else {
-		tau = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		tau = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    }
-	    eta = tau / (d__[*i__] + sqrt(d__[*i__] * d__[*i__] + tau));
+	    eta = tau / (d__[*i__] +  std::sqrt(d__[*i__] * d__[*i__] + tau));
 	} else {
 
 	    orgati = 0;
@@ -315,11 +315,11 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    a = c__ * delsq - z__[*i__] * z__[*i__] - z__[ip1] * z__[ip1];
 	    b = z__[ip1] * z__[ip1] * delsq;
 	    if (a < 0.) {
-		tau = b * 2. / (a - sqrt(fabs(a * a + b * 4. * c__)));
+		tau = b * 2. / (a -  std::sqrt(std::abs(a * a + b * 4. * c__)));
 	    } else {
-		tau = -(a + sqrt(fabs(a * a + b * 4. * c__))) /	(c__ * 2.);
+		tau = -(a +  std::sqrt(std::abs(a * a + b * 4. * c__))) /	(c__ * 2.);
 	    }
-	    eta = tau / (d__[ip1] + sqrt(fabs(d__[ip1] * d__[ip1] + tau)));
+	    eta = tau / (d__[ip1] +  std::sqrt(std::abs(d__[ip1] * d__[ip1] + tau)));
 	}
 
 	if (orgati) {
@@ -352,7 +352,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	dphi = 0.;
 	phi = 0.;
@@ -384,10 +384,10 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	dw = dpsi + dphi + temp * temp;
 	temp = z__[ii] * temp;
 	w += temp;
-	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. + 
-		fabs(tau) * dw;
+	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. + 
+		std::abs(tau) * dw;
 
-	if (fabs(w) <= eps * erretm) {
+	if (std::abs(w) <= eps * erretm) {
 	    goto L240;
 	}
 
@@ -410,8 +410,8 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    }
 	    a = (dtipsq + dtisq) * w - dtipsq * dtisq * dw;
 	    b = dtipsq * dtisq * w;
-	    if ( fabs(c__)<GMX_FLOAT_MIN) {
-		if ( fabs(a)<GMX_FLOAT_MIN) {
+	    if ( std::abs(c__)<GMX_FLOAT_MIN) {
+		if ( std::abs(a)<GMX_FLOAT_MIN) {
 		    if (orgati) {
 			a = z__[*i__] * z__[*i__] + dtipsq * dtipsq * (dpsi + 
 				dphi);
@@ -422,9 +422,9 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		}
 		eta = b / a;
 	    } else if (a <= 0.) {
-		eta = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		eta = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 	    } else {
-		eta = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		eta = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 	    }
 	} else {
 
@@ -483,7 +483,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	}
 
 	tau += eta;
-	eta /= *sigma + sqrt(*sigma * *sigma + eta);
+	eta /= *sigma +  std::sqrt(*sigma * *sigma + eta);
 
 	prew = w;
 
@@ -504,7 +504,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    dpsi += temp * temp;
 	    erretm += psi;
 	}
-	erretm = fabs(erretm);
+	erretm = std::abs(erretm);
 
 	dphi = 0.;
 	phi = 0.;
@@ -520,8 +520,8 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	dw = dpsi + dphi + temp * temp;
 	temp = z__[ii] * temp;
 	w = rhoinv + phi + psi + temp;
-	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. + 
-		fabs(tau) * dw;
+	erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. + 
+		std::abs(tau) * dw;
 
 	if (w <= 0.) {
 	    sg2lb = (sg2lb > tau) ? sg2lb : tau;
@@ -531,11 +531,11 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 
 	swtch = 0;
 	if (orgati) {
-	    if (-w > fabs(prew) / 10.) {
+	    if (-w > std::abs(prew) / 10.) {
 		swtch = 1;
 	    }
 	} else {
-	    if (w > fabs(prew) / 10.) {
+	    if (w > std::abs(prew) / 10.) {
 		swtch = 1;
 	    }
 	}
@@ -544,7 +544,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 
 	for (niter = iter; niter <= 20; ++niter) {
 
-	    if (fabs(w) <= eps * erretm) {
+	    if (std::abs(w) <= eps * erretm) {
 		goto L240;
 	    }
 
@@ -570,8 +570,8 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		}
 		a = (dtipsq + dtisq) * w - dtipsq * dtisq * dw;
 		b = dtipsq * dtisq * w;
-		if (fabs(c__)<GMX_FLOAT_MIN) {
-		    if (fabs(a)<GMX_FLOAT_MIN) {
+		if (std::abs(c__)<GMX_FLOAT_MIN) {
+		    if (std::abs(a)<GMX_FLOAT_MIN) {
 			if (! swtch) {
 			    if (orgati) {
 				a = z__[*i__] * z__[*i__] + dtipsq * dtipsq * 
@@ -586,9 +586,9 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		    }
 		    eta = b / a;
 		} else if (a <= 0.) {
-		  eta = (a - sqrt(fabs(a * a - b * 4. * c__))) / (c__ * 2.);
+		  eta = (a -  std::sqrt(std::abs(a * a - b * 4. * c__))) / (c__ * 2.);
 		} else {
-		  eta = b * 2. / (a + sqrt(fabs(a * a - b * 4. * c__)));
+		  eta = b * 2. / (a +  std::sqrt(std::abs(a * a - b * 4. * c__)));
 		}
 	    } else {
 
@@ -654,7 +654,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    }
 
 	    tau += eta;
-	    eta /= *sigma + sqrt(*sigma * *sigma + eta);
+	    eta /= *sigma +  std::sqrt(*sigma * *sigma + eta);
 
 	    *sigma += eta;
 	    i__1 = *n;
@@ -675,7 +675,7 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 		dpsi += temp * temp;
 		erretm += psi;
 	    }
-	    erretm = fabs(erretm);
+	    erretm = std::abs(erretm);
 
 	    dphi = 0.;
 	    phi = 0.;
@@ -691,9 +691,9 @@ F77_FUNC(slasd4,SLASD4)(int *n,
 	    dw = dpsi + dphi + temp * temp;
 	    temp = z__[ii] * temp;
 	    w = rhoinv + phi + psi + temp;
-	    erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + fabs(temp) * 3. 
-		    + fabs(tau) * dw;
-	    if (w * prew > 0. && fabs(w) > fabs(prew) / 10.) {
+	    erretm = (phi - psi) * 8. + erretm + rhoinv * 2. + std::abs(temp) * 3. 
+		    + std::abs(tau) * dw;
+	    if (w * prew > 0. && std::abs(w) > std::abs(prew) / 10.) {
 		swtch = ! swtch;
 	    }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd5.c b/src/gromacs/linearalgebra/gmx_lapack/slasd5.cpp
similarity index 73%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd5.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd5.cpp
index 4773373116..63a88141e8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd5.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd5.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void 
@@ -26,9 +26,9 @@ F77_FUNC(slasd5,SLASD5)(int *i__,
 	    b = delsq + *rho * (z__[1] * z__[1] + z__[2] * z__[2]);
 	    c__ = *rho * z__[1] * z__[1] * delsq;
 
-	    tau = c__ * 2. / (b + sqrt(fabs(b * b - c__ * 4.)));
+	    tau = c__ * 2. / (b +  std::sqrt(std::abs(b * b - c__ * 4.)));
 
-	    tau /= d__[1] + sqrt(d__[1] * d__[1] + tau);
+	    tau /= d__[1] +  std::sqrt(d__[1] * d__[1] + tau);
 	    *dsigma = d__[1] + tau;
 	    delta[1] = -tau;
 	    delta[2] = del - tau;
@@ -39,12 +39,12 @@ F77_FUNC(slasd5,SLASD5)(int *i__,
 	    c__ = *rho * z__[2] * z__[2] * delsq;
 
 	    if (b > 0.) {
-		tau = c__ * -2. / (b + sqrt(b * b + c__ * 4.));
+		tau = c__ * -2. / (b +  std::sqrt(b * b + c__ * 4.));
 	    } else {
-		tau = (b - sqrt(b * b + c__ * 4.)) / 2.;
+		tau = (b -  std::sqrt(b * b + c__ * 4.)) / 2.;
 	    }
 
-	    tau /= d__[2] + sqrt(fabs(d__[2] * d__[2] + tau));
+	    tau /= d__[2] +  std::sqrt(std::abs(d__[2] * d__[2] + tau));
 	    *dsigma = d__[2] + tau;
 	    delta[1] = -(del + tau);
 	    delta[2] = -tau;
@@ -57,11 +57,11 @@ F77_FUNC(slasd5,SLASD5)(int *i__,
 	c__ = *rho * z__[2] * z__[2] * delsq;
 
 	if (b > 0.) {
-	    tau = (b + sqrt(b * b + c__ * 4.)) / 2.;
+	    tau = (b +  std::sqrt(b * b + c__ * 4.)) / 2.;
 	} else {
-	    tau = c__ * 2. / (-b + sqrt(b * b + c__ * 4.));
+	    tau = c__ * 2. / (-b +  std::sqrt(b * b + c__ * 4.));
 	}
-	tau /= d__[2] + sqrt(d__[2] * d__[2] + tau);
+	tau /= d__[2] +  std::sqrt(d__[2] * d__[2] + tau);
 	*dsigma = d__[2] + tau;
 	delta[1] = -(del + tau);
 	delta[2] = -tau;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd6.c b/src/gromacs/linearalgebra/gmx_lapack/slasd6.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd6.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd6.cpp
index f74d6b741c..896d8f5714 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -75,13 +75,13 @@ F77_FUNC(slasd6,SLASD6)(int *icompq,
     idxc = idx + n;
     idxp = idxc + n;
 
-    d__1 = fabs(*alpha); 
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha); 
+    d__2 = std::abs(*beta);
     orgnrm = (d__1 > d__2) ? d__1 : d__2;
     d__[*nl + 1] = 0.;
     i__1 = n;
     for (i__ = 1; i__ <= i__1; ++i__) {
-      d__1 = fabs(d__[i__]);
+      d__1 = std::abs(d__[i__]);
 	if (d__1 > orgnrm)
 	    orgnrm = d__1;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd7.c b/src/gromacs/linearalgebra/gmx_lapack/slasd7.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd7.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd7.cpp
index 40e8fed595..29a7e06134 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd7.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd7.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -119,17 +119,17 @@ F77_FUNC(slasd7,SLASD7)(int *icompq,
 
     eps = GMX_FLOAT_EPS;
 
-    d__1 = fabs(*alpha);
-    d__2 = fabs(*beta);
+    d__1 = std::abs(*alpha);
+    d__2 = std::abs(*beta);
     tol = (d__1>d__2) ? d__1 : d__2;
-    d__2 = fabs(d__[n]);
+    d__2 = std::abs(d__[n]);
     tol = eps * 64. * ((d__2>tol) ? d__2 : tol);
 
     *k = 1;
     k2 = n + 1;
     i__1 = n;
     for (j = 2; j <= i__1; ++j) {
-	if (fabs(z__[j]) <= tol) {
+	if (std::abs(z__[j]) <= tol) {
 
 	    --k2;
 	    idxp[k2] = j;
@@ -148,13 +148,13 @@ L80:
     if (j > n) {
 	goto L90;
     }
-    if (fabs(z__[j]) <= tol) {
+    if (std::abs(z__[j]) <= tol) {
 
 	--k2;
 	idxp[k2] = j;
     } else {
 
-	if (fabs(d__[j] - d__[jprev]) <= tol) {
+	if (std::abs(d__[j] - d__[jprev]) <= tol) {
 
 	    *s = z__[jprev];
 	    *c__ = z__[j];
@@ -226,7 +226,7 @@ L100:
 
     dsigma[1] = 0.;
     hlftol = tol / 2.;
-    if (fabs(dsigma[2]) <= hlftol) {
+    if (std::abs(dsigma[2]) <= hlftol) {
 	dsigma[2] = hlftol;
     }
     if (m > n) {
@@ -242,7 +242,7 @@ L100:
 	F77_FUNC(srot,SROT)(&c__1, &vf[m], &c__1, &vf[1], &c__1, c__, s);
 	F77_FUNC(srot,SROT)(&c__1, &vl[m], &c__1, &vl[1], &c__1, c__, s);
     } else {
-	if (fabs(z1) <= tol) {
+	if (std::abs(z1) <= tol) {
 	    z__[1] = tol;
 	} else {
 	    z__[1] = z1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasd8.c b/src/gromacs/linearalgebra/gmx_lapack/slasd8.cpp
similarity index 81%
rename from src/gromacs/linearalgebra/gmx_lapack/slasd8.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasd8.cpp
index 7b86bea09c..f0e7699539 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasd8.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasd8.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 
@@ -18,7 +18,6 @@ F77_FUNC(slasd8,SLASD8)(int *icompq,
 {
     int difr_dim1, difr_offset, i__1, i__2;
     float d__2;
-    float *p1,*p2,t1,t2;
 
     int i__, j;
     float dj, rho;
@@ -47,11 +46,8 @@ F77_FUNC(slasd8,SLASD8)(int *icompq,
 
     *info = 0;
 
-    p1 = &t1;
-    p2 = &t2;
-
     if (*k == 1) {
-	d__[1] = fabs(z__[1]);
+	d__[1] = std::abs(z__[1]);
 	difl[1] = d__[1];
 	if (*icompq == 1) {
 	    difl[2] = 1.;
@@ -60,14 +56,6 @@ F77_FUNC(slasd8,SLASD8)(int *icompq,
 	return;
     }
 
-    i__1 = *k;
-    for (i__ = 1; i__ <= i__1; ++i__) {
-      t1 = dsigma[i__];
-      t2 = dsigma[i__];
-      /* force store and reload from memory */
-      d__2 = (*p1) + (*p2) - dsigma[i__];
-    }
-
     iwk1 = 1;
     iwk2 = iwk1 + *k;
     iwk3 = iwk2 + *k;
@@ -107,7 +95,7 @@ F77_FUNC(slasd8,SLASD8)(int *icompq,
 
     i__1 = *k;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	d__2 = sqrt(fabs(work[iwk3i + i__]));
+	d__2 =  std::sqrt(std::abs(work[iwk3i + i__]));
 	z__[i__] = (z__[i__] > 0) ? d__2 : -d__2;
     }
 
@@ -123,19 +111,11 @@ F77_FUNC(slasd8,SLASD8)(int *icompq,
 	work[j] = -z__[j] / diflj / (dsigma[j] + dj);
 	i__2 = j - 1;
 	for (i__ = 1; i__ <= i__2; ++i__) {
-	  t1 = dsigma[i__];
-	  t2 = dsigj;
-	  /* force store and reload from memory */
-	  t1 = (*p1) + (*p2) - diflj;
-	  work[i__] = z__[i__] / t1 / ( dsigma[i__] + dj);
+	  work[i__] = z__[i__] / (dsigma[i__] + dsigj - diflj) / ( dsigma[i__] + dj);
 	}
 	i__2 = *k;
 	for (i__ = j + 1; i__ <= i__2; ++i__) {
-	  t1 = dsigma[i__];
-	  t2 = dsigjp;
-	  /* force store and reload from memory */
-	  t1 = (*p1) + (*p2) - difrj;
-	    work[i__] = z__[i__] / t1 / (dsigma[i__] + dj);
+	    work[i__] = z__[i__] / (dsigma[i__] + dsigjp - difrj) / (dsigma[i__] + dj);
 	}
 	temp = F77_FUNC(snrm2,SNRM2)(k, &work[1], &c__1);
 	work[iwk2i + j] = F77_FUNC(sdot,SDOT)(k, &work[1], &c__1, &vf[1], &c__1) / temp;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasda.c b/src/gromacs/linearalgebra/gmx_lapack/slasda.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slasda.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasda.cpp
index c0c883f505..541c393250 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasda.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasda.cpp
@@ -201,7 +201,6 @@ F77_FUNC(slasda,SLASDA)(int *icompq,
 	    lf = 1;
 	    ll = 1;
 	} else {
-	    i__1 = lvl - 1;
 	    lf = (1 << (lvl-1));
 	    ll = (lf << 1) - 1;
 	}
@@ -212,7 +211,6 @@ F77_FUNC(slasda,SLASDA)(int *icompq,
 	    nl = iwork[ndiml + im1];
 	    nr = iwork[ndimr + im1];
 	    nlf = ic - nl;
-	    nrf = ic + 1;
 	    if (i__ == ll) {
 		sqrei = *sqre;
 	    } else {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasdq.c b/src/gromacs/linearalgebra/gmx_lapack/slasdq.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/slasdq.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasdq.cpp
index 71ccb06111..0b7545393a 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasdq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasdq.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
@@ -22,7 +22,7 @@ F77_FUNC(slasdq,SLASDQ)(const char *uplo,
                         float *work, 
                         int *info)
 {
-    const char xuplo=toupper(*uplo);
+    const char xuplo=std::toupper(*uplo);
     int c_dim1, c_offset, u_dim1, u_offset, vt_dim1, vt_offset, i__1, 
 	    i__2;
     int c__1 = 1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasdt.c b/src/gromacs/linearalgebra/gmx_lapack/slasdt.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/slasdt.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasdt.cpp
index dde20330a6..3987cd1456 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasdt.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasdt.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
@@ -14,7 +14,7 @@ F77_FUNC(slasdt,SLASDT)(int *n,
   float temp;
   int i,il,ir,llst,nlvl,ncrnt;
 
-  temp = log( ((float) maxn) / ((float)(*msub+1))) / log(2.0);
+  temp = std::log( ((float) maxn) / ((float)(*msub+1))) / std::log(2.0);
   
   *lvl = 1 + (int) temp;
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaset.c b/src/gromacs/linearalgebra/gmx_lapack/slaset.cpp
similarity index 91%
rename from src/gromacs/linearalgebra/gmx_lapack/slaset.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaset.cpp
index 2fd0a8554b..d45de7b6a2 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slaset.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slaset.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "../gmx_lapack.h"
 
 
@@ -12,7 +12,7 @@ F77_FUNC(slaset,SLASET)(const char *uplo,
 	int *lda)
 {
   int i,j,k;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   if(ch=='U') {
     for(j=1;j<*n;j++) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq1.c b/src/gromacs/linearalgebra/gmx_lapack/slasq1.cpp
similarity index 86%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq1.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq1.cpp
index 8aeb32ed0f..c6de16958d 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq1.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq1.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -29,14 +29,14 @@ F77_FUNC(slasq1,SLASQ1)(int *n,
   }
   
   for(i=0;i<*n-1;i++) {
-    d[i] = fabs(d[i]);
-    dtemp = fabs(e[i]);
+    d[i] = std::abs(d[i]);
+    dtemp = std::abs(e[i]);
     if(dtemp>sigmx)
       sigmx=dtemp;
   }
-  d[*n-1] = fabs(d[*n-1]);
+  d[*n-1] = std::abs(d[*n-1]);
   
-  if(fabs(sigmx)<GMX_FLOAT_MIN) {
+  if(std::abs(sigmx)<GMX_FLOAT_MIN) {
     F77_FUNC(slasrt,SLASRT)("D",n,d,&iinfo);
     return;
   }
@@ -50,7 +50,7 @@ F77_FUNC(slasq1,SLASQ1)(int *n,
    * Squaring input data makes scaling by a power of the
    * radix pointless.
    */
-  scale = sqrt(eps/safemin);
+  scale =  std::sqrt(eps/safemin);
   i = 1;
   j = 2;
   F77_FUNC(scopy,SCOPY)(n,d,&i,work,&j);
@@ -74,7 +74,7 @@ F77_FUNC(slasq1,SLASQ1)(int *n,
   k = 1;
   if(*info==0) {
     for(i=0;i<*n;i++)
-      d[i]=sqrt(work[i]);
+      d[i]= std::sqrt(work[i]);
     F77_FUNC(slascl,SLASCL)("G",&j,&j,&scale,&sigmx,n,&k,d,n,&iinfo);
   }
   return;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq2.c b/src/gromacs/linearalgebra/gmx_lapack/slasq2.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq2.cpp
index 14bb265582..c687a23a53 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -76,9 +76,9 @@ F77_FUNC(slasq2,SLASQ2)(int *n,
 	    t = (z__[1] - z__[3] + z__[2]) * .5;
 	    s = z__[3] * (z__[2] / t);
 	    if (s <= t) {
-		s = z__[3] * (z__[2] / (t * (sqrt(s / t + 1.) + 1.)));
+		s = z__[3] * (z__[2] / (t * ( std::sqrt(s / t + 1.) + 1.)));
 	    } else {
-		s = z__[3] * (z__[2] / (t + sqrt(t) * sqrt(t + s)));
+		s = z__[3] * (z__[2] / (t +  std::sqrt(t) * std::sqrt(t + s)));
 	    }
 	    t = z__[1] + (s + z__[2]);
 	    z__[3] *= z__[1] / t;
@@ -121,9 +121,8 @@ F77_FUNC(slasq2,SLASQ2)(int *n,
     d__ += z__[(*n << 1) - 1];
     d__1 = qmax, d__2 = z__[(*n << 1) - 1];
     qmax = (d__1>d__2) ? d__1 : d__2;
-    zmax = (qmax>zmax) ? qmax : zmax;
 
-    if (fabs(e)<GMX_FLOAT_MIN) {
+    if (std::abs(e)<GMX_FLOAT_MIN) {
 	i__1 = *n;
 	for (k = 2; k <= i__1; ++k) {
 	    z__[k] = z__[(k << 1) - 1];
@@ -135,7 +134,7 @@ F77_FUNC(slasq2,SLASQ2)(int *n,
 
     trace = d__ + e;
 
-    if (fabs(trace)<GMX_FLOAT_MIN) {
+    if (std::abs(trace)<GMX_FLOAT_MIN) {
 	z__[(*n << 1) - 1] = 0.;
 	return;
     }
@@ -148,13 +147,13 @@ F77_FUNC(slasq2,SLASQ2)(int *n,
     if(neginf>=0.0)
       ieee = 0;
     negzro = one/(neginf+one);
-    if(fabs(negzro)>GMX_FLOAT_MIN)
+    if(std::abs(negzro)>GMX_FLOAT_MIN)
       ieee = 0;
     neginf = one/negzro;
     if(neginf>=0)
       ieee = 0;
     newzro = negzro + zero;
-    if(fabs(newzro-zero)>GMX_FLOAT_MIN)
+    if(std::abs(newzro-zero)>GMX_FLOAT_MIN)
       ieee = 0;
     posinf = one /newzro;
     if(posinf<=one)
@@ -263,7 +262,7 @@ F77_FUNC(slasq2,SLASQ2)(int *n,
 
 	emax = 0.;
 	if (n0 > i0) {
-	    emin = fabs(z__[(n0 << 2) - 5]);
+	    emin = std::abs(z__[(n0 << 2) - 5]);
 	} else {
 	    emin = 0.;
 	}
@@ -325,7 +324,7 @@ L100:
 	}
 
 
-	d__1 = 0., d__2 = qmin - sqrt(qmin) * 2. * sqrt(emax);
+	d__1 = 0., d__2 = qmin -  std::sqrt(qmin) * 2. * std::sqrt(emax);
 	dmin__ = -((d__1>d__2) ? d__1 : d__2);
 
 	nbig = (n0 - i0 + 1) * 30;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq3.c b/src/gromacs/linearalgebra/gmx_lapack/slasq3.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq3.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq3.cpp
index 0bc291d58e..18c3d22da7 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq3.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq3.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -85,9 +85,9 @@ L40:
 	t = (z__[nn - 7] - z__[nn - 3] + z__[nn - 5]) * .5;
 	s = z__[nn - 3] * (z__[nn - 5] / t);
 	if (s <= t) {
-	    s = z__[nn - 3] * (z__[nn - 5] / (t * (sqrt(s / t + 1.) + 1.)));
+	    s = z__[nn - 3] * (z__[nn - 5] / (t * ( std::sqrt(s / t + 1.) + 1.)));
 	} else {
-	    s = z__[nn - 3] * (z__[nn - 5] / (t + sqrt(t) * sqrt(t + s)));
+	    s = z__[nn - 3] * (z__[nn - 5] / (t +  std::sqrt(t) * std::sqrt(t + s)));
 	}
 	t = z__[nn - 7] + (s + z__[nn - 5]);
 	z__[nn - 3] *= z__[nn - 7] / t;
@@ -159,7 +159,7 @@ L70:
 	goto L90;
 
     } else if (*dmin__ < 0. && dmin1 > 0. && z__[4*(*n0 - 1) - *pp] < tol *
-	     (*sigma + dn1) && fabs(dn) < tol * *sigma) {
+	     (*sigma + dn1) && std::abs(dn) < tol * *sigma) {
 
 	z__[4*(*n0 - 1) - *pp + 2] = 0.;
 	*dmin__ = 0.;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq4.c b/src/gromacs/linearalgebra/gmx_lapack/slasq4.cpp
similarity index 78%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq4.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq4.cpp
index 91a13be2b7..badd5e52a3 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq4.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq4.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_lapack.h"
@@ -38,15 +38,15 @@ F77_FUNC(slasq4,SLASQ4)(int *i0,
     nn = (*n0 << 2) + *pp;
     if (*n0in == *n0) {
 
-	if ( fabs(*dmin__ - *dn)<GMX_FLOAT_EPS*fabs(*dmin__ + *dn) ||
-         fabs(*dmin__ - *dn1)<GMX_FLOAT_EPS*fabs(*dmin__ + *dn1)) {
+	if ( std::abs(*dmin__ - *dn)<GMX_FLOAT_EPS*std::abs(*dmin__ + *dn) ||
+         std::abs(*dmin__ - *dn1)<GMX_FLOAT_EPS*std::abs(*dmin__ + *dn1)) {
 
-	    b1 = sqrt(z__[nn - 3]) * sqrt(z__[nn - 5]);
-	    b2 = sqrt(z__[nn - 7]) * sqrt(z__[nn - 9]);
+	    b1 =  std::sqrt(z__[nn - 3]) * std::sqrt(z__[nn - 5]);
+	    b2 =  std::sqrt(z__[nn - 7]) * std::sqrt(z__[nn - 9]);
 	    a2 = z__[nn - 7] + z__[nn - 5];
 
-        if ( fabs(*dmin__ - *dn)<GMX_FLOAT_EPS*fabs(*dmin__ + *dn) &&
-             fabs(*dmin1 - *dn1)<GMX_FLOAT_EPS*fabs(*dmin1 + *dn1)) {
+        if ( std::abs(*dmin__ - *dn)<GMX_FLOAT_EPS*std::abs(*dmin__ + *dn) &&
+             std::abs(*dmin1 - *dn1)<GMX_FLOAT_EPS*std::abs(*dmin1 + *dn1)) {
 
             gap2 = *dmin2 - a2 - *dmin2 * .25;
 		if (gap2 > 0. && gap2 > b2) {
@@ -76,7 +76,7 @@ F77_FUNC(slasq4,SLASQ4)(int *i0,
 
 		*ttype = -4;
 		s = *dmin__ * .25;
-		if (fabs(*dmin__ - *dn)<GMX_FLOAT_EPS*fabs(*dmin__ + *dn)) {
+		if (std::abs(*dmin__ - *dn)<GMX_FLOAT_EPS*std::abs(*dmin__ + *dn)) {
 		    gam = *dn;
 		    a2 = 0.;
 		    if (z__[nn - 5] > z__[nn - 7]) {
@@ -86,7 +86,6 @@ F77_FUNC(slasq4,SLASQ4)(int *i0,
 		    np = nn - 9;
 		} else {
 		    np = nn - (*pp << 1);
-		    b2 = z__[np - 2];
 		    gam = *dn1;
 		    if (z__[np - 4] > z__[np - 2]) {
 			return;
@@ -103,7 +102,7 @@ F77_FUNC(slasq4,SLASQ4)(int *i0,
 		a2 += b2;
 		i__1 = (*i0 << 2) - 1 + *pp;
 		for (i4 = np; i4 >= i__1; i4 += -4) {
-		    if (fabs(b2)<GMX_FLOAT_MIN) {
+		    if (std::abs(b2)<GMX_FLOAT_MIN) {
 			goto L20;
 		    }
 		    b1 = b2;
@@ -121,10 +120,10 @@ L20:
 
 
 		if (a2 < .563) {
-		    s = gam * (1. - sqrt(a2)) / (a2 + 1.);
+		    s = gam * (1. -  std::sqrt(a2)) / (a2 + 1.);
 		}
 	    }
-	} else if (fabs(*dmin__ - *dn2)<GMX_FLOAT_EPS*fabs(*dmin__ + *dn2)) {
+	} else if (std::abs(*dmin__ - *dn2)<GMX_FLOAT_EPS*std::abs(*dmin__ + *dn2)) {
 
 	    *ttype = -5;
 	    s = *dmin__ * .25;
@@ -144,7 +143,7 @@ L20:
 		a2 += b2;
 		i__1 = (*i0 << 2) - 1 + *pp;
 		for (i4 = nn - 17; i4 >= i__1; i4 += -4) {
-		    if (fabs(b2)<GMX_FLOAT_MIN) {
+		    if (std::abs(b2)<GMX_FLOAT_MIN) {
 			goto L40;
 		    }
 		    b1 = b2;
@@ -162,7 +161,7 @@ L40:
 	    }
 
 	    if (a2 < .563) {
-		s = gam * (1. - sqrt(a2)) / (a2 + 1.);
+		s = gam * (1. -  std::sqrt(a2)) / (a2 + 1.);
 	    }
 	} else {
 
@@ -179,8 +178,8 @@ L40:
 
     } else if (*n0in == *n0 + 1) {
 
-        if ( fabs(*dmin1 - *dn1)<GMX_FLOAT_EPS*fabs(*dmin1 + *dn1) &&
-             fabs(*dmin2 - *dn2)<GMX_FLOAT_EPS*fabs(*dmin2 + *dn2)) {
+        if ( std::abs(*dmin1 - *dn1)<GMX_FLOAT_EPS*std::abs(*dmin1 + *dn1) &&
+             std::abs(*dmin2 - *dn2)<GMX_FLOAT_EPS*std::abs(*dmin2 + *dn2)) {
 
 	    *ttype = -7;
 	    s = *dmin1 * .333;
@@ -189,7 +188,7 @@ L40:
 	    }
 	    b1 = z__[nn - 5] / z__[nn - 7];
 	    b2 = b1;
-	    if (fabs(b2)<GMX_FLOAT_MIN) {
+	    if (std::abs(b2)<GMX_FLOAT_MIN) {
 		goto L60;
 	    }
 	    i__1 = (*i0 << 2) - 1 + *pp;
@@ -205,7 +204,7 @@ L40:
 		}
 	    }
 L60:
-	    b2 = sqrt(b2 * 1.05);
+	    b2 =  std::sqrt(b2 * 1.05);
 	    d__1 = b2;
 	    a2 = *dmin1 / (d__1 * d__1 + 1.);
 	    gap2 = *dmin2 * .5 - a2;
@@ -220,7 +219,7 @@ L60:
 	} else {
 
 	    s = *dmin1 * .25;
-	    if (fabs(*dmin1 - *dn1)<GMX_FLOAT_EPS*fabs(*dmin1 + *dn1)) {
+	    if (std::abs(*dmin1 - *dn1)<GMX_FLOAT_EPS*std::abs(*dmin1 + *dn1)) {
 		s = *dmin1 * .5;
 	    }
 	    *ttype = -9;
@@ -228,7 +227,7 @@ L60:
 
     } else if (*n0in == *n0 + 2) {
 
-	if (fabs(*dmin2 - *dn2)<GMX_FLOAT_EPS*fabs(*dmin2 + *dn2) &&
+	if (std::abs(*dmin2 - *dn2)<GMX_FLOAT_EPS*std::abs(*dmin2 + *dn2) &&
         z__[nn - 5] * 2. < z__[nn - 7]) {
 	    *ttype = -10;
 	    s = *dmin2 * .333;
@@ -237,7 +236,7 @@ L60:
 	    }
 	    b1 = z__[nn - 5] / z__[nn - 7];
 	    b2 = b1;
-	    if (fabs(b2)<GMX_FLOAT_MIN) {
+	    if (std::abs(b2)<GMX_FLOAT_MIN) {
 		goto L80;
 	    }
 	    i__1 = (*i0 << 2) - 1 + *pp;
@@ -252,10 +251,10 @@ L60:
 		}
 	    }
 L80:
-	    b2 = sqrt(b2 * 1.05);
+	    b2 =  std::sqrt(b2 * 1.05);
 	    d__1 = b2;
 	    a2 = *dmin2 / (d__1 * d__1 + 1.);
-	    gap2 = z__[nn - 7] + z__[nn - 9] - sqrt(z__[nn - 11]) * sqrt(z__[
+	    gap2 = z__[nn - 7] + z__[nn - 9] -  std::sqrt(z__[nn - 11]) * std::sqrt(z__[
 		    nn - 9]) - a2;
 	    if (gap2 > 0. && gap2 > b2 * a2) {
 		d__1 = s, d__2 = a2 * (1. - a2 * 1.01 * (b2 / gap2) * b2);
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq5.c b/src/gromacs/linearalgebra/gmx_lapack/slasq5.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq5.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq5.cpp
index ab93678181..564fa81766 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq5.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq5.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 
 void
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasq6.c b/src/gromacs/linearalgebra/gmx_lapack/slasq6.cpp
similarity index 93%
rename from src/gromacs/linearalgebra/gmx_lapack/slasq6.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasq6.cpp
index 15e24f36a8..a86de0e64e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasq6.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasq6.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -40,7 +40,7 @@ F77_FUNC(slasq6,SLASQ6)(int *i0,
 	i__1 = 4*(*n0 - 3);
 	for (j4 = *i0*4; j4 <= i__1; j4 += 4) {
 	    z__[j4 - 2] = d__ + z__[j4 - 1];
-	    if (fabs(z__[j4 - 2])<GMX_FLOAT_MIN) {
+	    if (std::abs(z__[j4 - 2])<GMX_FLOAT_MIN) {
 		z__[j4] = 0.;
 		d__ = z__[j4 + 1];
 		*dmin__ = d__;
@@ -64,7 +64,7 @@ F77_FUNC(slasq6,SLASQ6)(int *i0,
 	i__1 = 4*(*n0 - 3);
 	for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
 	    z__[j4 - 3] = d__ + z__[j4];
-	    if (fabs(z__[j4 - 3])<GMX_FLOAT_MIN) {
+	    if (std::abs(z__[j4 - 3])<GMX_FLOAT_MIN) {
 		z__[j4 - 1] = 0.;
 		d__ = z__[j4 + 2];
 		*dmin__ = d__;
@@ -90,7 +90,7 @@ F77_FUNC(slasq6,SLASQ6)(int *i0,
     j4 = 4*(*n0 - 2) - *pp;
     j4p2 = j4 + (*pp << 1) - 1;
     z__[j4 - 2] = *dnm2 + z__[j4p2];
-    if (fabs(z__[j4 - 2])<GMX_FLOAT_MIN) {
+    if (std::abs(z__[j4 - 2])<GMX_FLOAT_MIN) {
 	z__[j4] = 0.;
 	*dnm1 = z__[j4p2 + 2];
 	*dmin__ = *dnm1;
@@ -111,7 +111,7 @@ F77_FUNC(slasq6,SLASQ6)(int *i0,
     j4 += 4;
     j4p2 = j4 + (*pp << 1) - 1;
     z__[j4 - 2] = *dnm1 + z__[j4p2];
-    if (fabs(z__[j4 - 2])<GMX_FLOAT_MIN) {
+    if (std::abs(z__[j4 - 2])<GMX_FLOAT_MIN) {
 	z__[j4] = 0.;
 	*dn = z__[j4p2 + 2];
 	*dmin__ = *dn;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasr.c b/src/gromacs/linearalgebra/gmx_lapack/slasr.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_lapack/slasr.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasr.cpp
index f897011bae..dd838c8457 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 #include "../gmx_lapack.h"
@@ -18,7 +18,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
     int a_dim1, a_offset, i__1, i__2;
 
     /* Local variables */
-    int i__, j, info;
+    int i__, j;
     float temp;
     float ctemp, stemp;
 
@@ -29,7 +29,6 @@ F77_FUNC(slasr,SLASR)(const char *side,
     a -= a_offset;
 
     /* Function Body */
-    info = 0;
 
     if (*m == 0 || *n == 0) {
 	return;
@@ -42,7 +41,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + 1 + i__ * a_dim1];
@@ -57,7 +56,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *m - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + 1 + i__ * a_dim1];
@@ -75,7 +74,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 2; j <= i__1; ++j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -90,7 +89,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *m; j >= 2; --j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -108,7 +107,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *n;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -123,7 +122,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *m - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *n;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[j + i__ * a_dim1];
@@ -144,7 +143,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + (j + 1) * a_dim1];
@@ -159,7 +158,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *n - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + (j + 1) * a_dim1];
@@ -177,7 +176,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 2; j <= i__1; ++j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -192,7 +191,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *n; j >= 2; --j) {
 		    ctemp = c__[j - 1];
 		    stemp = s[j - 1];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -210,7 +209,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = 1; j <= i__1; ++j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__2 = *m;
 			for (i__ = 1; i__ <= i__2; ++i__) {
 			    temp = a[i__ + j * a_dim1];
@@ -225,7 +224,7 @@ F77_FUNC(slasr,SLASR)(const char *side,
 		for (j = *n - 1; j >= 1; --j) {
 		    ctemp = c__[j];
 		    stemp = s[j];
-		    if (fabs(ctemp-1.0)>GMX_FLOAT_EPS || fabs(stemp)>GMX_FLOAT_MIN) {
+		    if (std::abs(ctemp-1.0)>GMX_FLOAT_EPS || std::abs(stemp)>GMX_FLOAT_MIN) {
 			i__1 = *m;
 			for (i__ = 1; i__ <= i__1; ++i__) {
 			    temp = a[i__ + j * a_dim1];
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasrt.c b/src/gromacs/linearalgebra/gmx_lapack/slasrt.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slasrt.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasrt.cpp
index 2d8a9ee9c1..d3770c8538 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasrt.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasrt.cpp
@@ -33,7 +33,6 @@ F77_FUNC(slasrt,SLASRT)(const char *id,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
     if (*n <= 1) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasrt2.c b/src/gromacs/linearalgebra/gmx_lapack/slasrt2.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/slasrt2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasrt2.cpp
index 33452427b9..ad9f184499 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasrt2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasrt2.cpp
@@ -34,7 +34,6 @@ void F77_FUNC(slasrt2,SLASRT2)(const char *id,
 	*info = -2;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slassq.c b/src/gromacs/linearalgebra/gmx_lapack/slassq.cpp
similarity index 85%
rename from src/gromacs/linearalgebra/gmx_lapack/slassq.c
rename to src/gromacs/linearalgebra/gmx_lapack/slassq.cpp
index bd6462bb1c..11873b1e6d 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slassq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slassq.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 #include "../gmx_lapack.h"
 
@@ -14,8 +14,8 @@ F77_FUNC(slassq,SLASSQ)(int *n,
 
   if(*n>0) {
     for(ix=0;ix<=(*n-1)*(*incx);ix+=*incx) {
-      if(fabs(x[ix])>GMX_FLOAT_MIN) {
-	absxi = fabs(x[ix]);
+      if(std::abs(x[ix])>GMX_FLOAT_MIN) {
+	absxi = std::abs(x[ix]);
 	if(*scale<absxi) {
 	  t = *scale/absxi;
 	  t = t*t;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slasv2.c b/src/gromacs/linearalgebra/gmx_lapack/slasv2.cpp
similarity index 84%
rename from src/gromacs/linearalgebra/gmx_lapack/slasv2.c
rename to src/gromacs/linearalgebra/gmx_lapack/slasv2.cpp
index 84fcefa5cd..e985cdfa07 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slasv2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slasv2.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -26,9 +26,9 @@ F77_FUNC(slasv2,SLASV2)(float *f,
     int gasmal;
 
     ft = *f;
-    fa = fabs(ft);
+    fa = std::abs(ft);
     ht = *h__;
-    ha = fabs(*h__);
+    ha = std::abs(*h__);
 
     pmax = 1;
     swap = ha > fa;
@@ -43,8 +43,8 @@ F77_FUNC(slasv2,SLASV2)(float *f,
 
     }
     gt = *g;
-    ga = fabs(gt);
-    if (fabs(ga)<GMX_FLOAT_MIN) {
+    ga = std::abs(gt);
+    if (std::abs(ga)<GMX_FLOAT_MIN) {
 
 	*ssmin = ha;
 	*ssmax = fa;
@@ -74,7 +74,7 @@ F77_FUNC(slasv2,SLASV2)(float *f,
 	if (gasmal) {
 
 	    d__ = fa - ha;
-	    if ( fabs( fa - d__ )<GMX_FLOAT_EPS*fabs( fa + d__ )) {
+	    if ( std::abs( fa - d__ )<GMX_FLOAT_EPS*std::abs( fa + d__ )) {
 		l = 1.;
 	    } else {
 		l = d__ / fa;
@@ -85,20 +85,20 @@ F77_FUNC(slasv2,SLASV2)(float *f,
 
 	    mm = m * m;
 	    tt = t * t;
-	    s = sqrt(tt + mm);
+	    s =  std::sqrt(tt + mm);
 
-	    if ( fabs(l)<GMX_FLOAT_MIN) {
-		r__ = fabs(m);
+	    if ( std::abs(l)<GMX_FLOAT_MIN) {
+		r__ = std::abs(m);
 	    } else {
-		r__ = sqrt(l * l + mm);
+		r__ =  std::sqrt(l * l + mm);
 	    }
 	    a = (s + r__) * .5;
 
 	    *ssmin = ha / a;
 	    *ssmax = fa * a;
-	    if ( fabs(mm)<GMX_FLOAT_MIN) {
+	    if ( std::abs(mm)<GMX_FLOAT_MIN) {
 
-		if (fabs(l)<GMX_FLOAT_MIN) {
+		if (std::abs(l)<GMX_FLOAT_MIN) {
 		    t = ( (ft>0) ? 2.0 : -2.0) * ( (gt>0) ? 1.0 : -1.0);
 		} else {
 		    t = gt / ( (ft>0) ? d__ : d__) + m / t;
@@ -106,7 +106,7 @@ F77_FUNC(slasv2,SLASV2)(float *f,
 	    } else {
 		t = (m / (s + t) + m / (r__ + l)) * (a + 1.);
 	    }
-	    l = sqrt(t * t + 4.);
+	    l =  std::sqrt(t * t + 4.);
 	    crt = 2. / l;
 	    srt = t / l;
 	    clt = (crt + srt * m) / a;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slaswp.c b/src/gromacs/linearalgebra/gmx_lapack/slaswp.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/slaswp.c
rename to src/gromacs/linearalgebra/gmx_lapack/slaswp.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/slatrd.c b/src/gromacs/linearalgebra/gmx_lapack/slatrd.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/slatrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/slatrd.cpp
index da42a03f0f..c5d40d2382 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/slatrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/slatrd.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -18,7 +18,7 @@ F77_FUNC(slatrd,SLATRD)(const char *  uplo,
   int i,iw;
   int ti1,ti2,ti3;
   float one,zero,minusone,alpha;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   one=1.0;
   minusone=-1.0;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorg2r.c b/src/gromacs/linearalgebra/gmx_lapack/sorg2r.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/sorg2r.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorg2r.cpp
index 3f7508e7cb..6f469de2a6 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sorg2r.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sorg2r.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorgbr.c b/src/gromacs/linearalgebra/gmx_lapack/sorgbr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sorgbr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorgbr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorgl2.c b/src/gromacs/linearalgebra/gmx_lapack/sorgl2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sorgl2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorgl2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorglq.c b/src/gromacs/linearalgebra/gmx_lapack/sorglq.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sorglq.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorglq.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorgqr.c b/src/gromacs/linearalgebra/gmx_lapack/sorgqr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sorgqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorgqr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorm2l.c b/src/gromacs/linearalgebra/gmx_lapack/sorm2l.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/sorm2l.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorm2l.cpp
index 6415ec8159..5dad44cd91 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sorm2l.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sorm2l.cpp
@@ -42,7 +42,6 @@ F77_FUNC(sorm2l,SORM2L)(const char *side,
 	nq = *n;
     }
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorm2r.c b/src/gromacs/linearalgebra/gmx_lapack/sorm2r.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/sorm2r.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorm2r.cpp
index df0c3d90e4..48103becfc 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sorm2r.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sorm2r.cpp
@@ -16,7 +16,7 @@ F77_FUNC(sorm2r,SORM2R)(const char *side,
 {
     int a_dim1, a_offset, c_dim1, c_offset, i__1, i__2;
 
-    int i__, i1, i2, i3, ic, jc, mi, ni, nq;
+    int i__, i1, i2, i3, ic, jc, mi, ni;
     float aii;
     int left;
     int notran;
@@ -36,12 +36,6 @@ F77_FUNC(sorm2r,SORM2R)(const char *side,
 
     ic = jc = 0;
 
-    if (left) {
-	nq = *m;
-    } else {
-	nq = *n;
-    }
-
     if (*m <= 0 || *n <= 0 || *k <= 0) {
 	return;
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sormbr.c b/src/gromacs/linearalgebra/gmx_lapack/sormbr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sormbr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sormbr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sorml2.c b/src/gromacs/linearalgebra/gmx_lapack/sorml2.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/sorml2.c
rename to src/gromacs/linearalgebra/gmx_lapack/sorml2.cpp
index 3d0cd6cf87..c29b569690 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sorml2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sorml2.cpp
@@ -1,4 +1,4 @@
-#include <ctype.h>
+#include <cctype>
 #include "gromacs/utility/real.h"
 #include "../gmx_lapack.h"
 
@@ -16,8 +16,8 @@ F77_FUNC(sorml2,SORML2)(const char *side,
                         float *work,
                         int gmx_unused *info)
 {
-  const char xside=toupper(*side);
-  const char xtrans=toupper(*trans);
+  const char xside=std::toupper(*side);
+  const char xtrans=std::toupper(*trans);
   int i,i1,i2,i3,ni,mi,ic,jc;
   float aii;
 
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sormlq.c b/src/gromacs/linearalgebra/gmx_lapack/sormlq.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/sormlq.c
rename to src/gromacs/linearalgebra/gmx_lapack/sormlq.cpp
index 02d8fbaf8f..d399bced45 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sormlq.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sormlq.cpp
@@ -62,7 +62,6 @@ F77_FUNC(sormlq,SORMLQ)(const char *side,
     work[1] = (float) lwkopt;
     
     if (*info != 0) {
-	i__1 = -(*info);
        	return;
     } else if (lquery) {
 	return;
@@ -81,8 +80,6 @@ F77_FUNC(sormlq,SORMLQ)(const char *side,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMLQ_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sormql.c b/src/gromacs/linearalgebra/gmx_lapack/sormql.cpp
similarity index 97%
rename from src/gromacs/linearalgebra/gmx_lapack/sormql.c
rename to src/gromacs/linearalgebra/gmx_lapack/sormql.cpp
index fbed2088b2..4895f75994 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sormql.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sormql.cpp
@@ -46,8 +46,7 @@ F77_FUNC(sormql,SORMQL)(const char *side, const char *trans, int *m, int *n,
     work[1] = (float) lwkopt;
     
     if (*info != 0) {
-	i__1 = -(*info);
-	return;
+        return;
     } else if (lquery) {
 	return;
     }
@@ -65,8 +64,6 @@ F77_FUNC(sormql,SORMQL)(const char *side, const char *trans, int *m, int *n,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMQL_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sormqr.c b/src/gromacs/linearalgebra/gmx_lapack/sormqr.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/gmx_lapack/sormqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sormqr.cpp
index 01cac7fd22..502cb7dfb9 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sormqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sormqr.cpp
@@ -56,7 +56,6 @@ F77_FUNC(sormqr,SORMQR)(const char *side,
      work[1] = (float) lwkopt;
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     } else if (lquery) {
       return;
@@ -75,8 +74,6 @@ F77_FUNC(sormqr,SORMQR)(const char *side,
 	    nb = *lwork / ldwork;
 	    nbmin = DORMQR_MINBLOCKSIZE;
 	}
-    } else {
-	iws = nw;
     }
 
     if (nb < nbmin || nb >= *k) {
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sormtr.c b/src/gromacs/linearalgebra/gmx_lapack/sormtr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sormtr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sormtr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sstebz.c b/src/gromacs/linearalgebra/gmx_lapack/sstebz.cpp
similarity index 94%
rename from src/gromacs/linearalgebra/gmx_lapack/sstebz.c
rename to src/gromacs/linearalgebra/gmx_lapack/sstebz.cpp
index 863315bd79..652f2cc539 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sstebz.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sstebz.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -102,7 +102,6 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
     }
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -147,7 +146,7 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
 	d__1 = e[j - 1];
 	tmp1 = d__1 * d__1;
 	d__2 = ulp;
-	if (fabs(d__[j] * d__[j - 1]) * (d__2 * d__2) + safemn 
+	if (std::abs(d__[j] * d__[j - 1]) * (d__2 * d__2) + safemn 
 		> tmp1) {
 	    isplit[*nsplit] = j - 1;
 	    ++(*nsplit);
@@ -168,7 +167,7 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
 
 	i__1 = *n - 1;
 	for (j = 1; j <= i__1; ++j) {
-	    tmp2 = sqrt(work[j]);
+	    tmp2 =  std::sqrt(work[j]);
 	    d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
 	    gu = (d__1>d__2) ? d__1 : d__2;
 	    d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
@@ -180,13 +179,13 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
 	gu = (d__1>d__2) ? d__1 : d__2;
 	d__1 = gl, d__2 = d__[*n] - tmp1;
 	gl = (d__1<d__2) ? d__1 : d__2;
-	d__1 = fabs(gl);
-	d__2 = fabs(gu);
+	d__1 = std::abs(gl);
+	d__2 = std::abs(gu);
 	tnorm = (d__1>d__2) ? d__1 : d__2;
 	gl = gl - tnorm * 2. * ulp * *n - pivmin * 4.;
 	gu = gu + tnorm * 2. * ulp * *n + pivmin * 2.;
 
-	itmax = (int) ((log(tnorm + pivmin) - log(pivmin)) / log(2.)) + 2;
+	itmax = (int) ((std::log(tnorm + pivmin) - std::log(pivmin)) / std::log(2.)) + 2;
 	if (*abstol <= 0.) {
 	    atoli = ulp * tnorm;
 	} else {
@@ -236,14 +235,14 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
       /* avoid warnings for high gcc optimization */
       wlu = wul = 1.0;
 
-	d__3 = fabs(d__[1]) + fabs(e[1]);
-	d__4 = fabs(d__[*n]) + fabs(e[*n - 1]);
+	d__3 = std::abs(d__[1]) + std::abs(e[1]);
+	d__4 = std::abs(d__[*n]) + std::abs(e[*n - 1]);
 	tnorm = (d__3>d__4) ? d__3 : d__4;
 
 	i__1 = *n - 1;
 	for (j = 2; j <= i__1; ++j) {
 	    d__4 = tnorm;
-	    d__5 = fabs(d__[j]) + fabs(e[j - 1]) + fabs(e[j]);
+	    d__5 = std::abs(d__[j]) + std::abs(e[j - 1]) + std::abs(e[j]);
 	    tnorm = (d__4>d__5) ? d__4 : d__5;
 	}
 
@@ -296,7 +295,7 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
 
 	    i__2 = iend - 1;
 	    for (j = ibegin; j <= i__2; ++j) {
-		tmp2 = fabs(e[j]);
+		tmp2 = std::abs(e[j]);
 		d__1 = gu, d__2 = d__[j] + tmp1 + tmp2;
 		gu = (d__1>d__2) ? d__1 : d__2;
 		d__1 = gl, d__2 = d__[j] - tmp1 - tmp2;
@@ -308,15 +307,15 @@ F77_FUNC(sstebz,SSTEBZ)(const char *range,
 	    gu = (d__1>d__2) ? d__1 : d__2;
 	    d__1 = gl, d__2 = d__[iend] - tmp1;
 	    gl = (d__1<d__2) ? d__1 : d__2;
-	    d__1 = fabs(gl);
-	    d__2 = fabs(gu);
+	    d__1 = std::abs(gl);
+	    d__2 = std::abs(gu);
 	    bnorm = (d__1>d__2) ? d__1 : d__2;
 	    gl = gl - bnorm * 2. * ulp * in - pivmin * 2.;
 	    gu = gu + bnorm * 2. * ulp * in + pivmin * 2.;
 
 	    if (*abstol <= 0.) {
-		d__1 = fabs(gl);
-		d__2 = fabs(gu);
+		d__1 = std::abs(gl);
+		d__2 = std::abs(gu);
 		atoli = ulp * ((d__1>d__2) ? d__1 : d__2);
 	    } else {
 		atoli = *abstol;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sstegr.c b/src/gromacs/linearalgebra/gmx_lapack/sstegr.cpp
similarity index 95%
rename from src/gromacs/linearalgebra/gmx_lapack/sstegr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sstegr.cpp
index f2d0cfcb91..cb4d229f4d 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sstegr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sstegr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -128,8 +128,8 @@ F77_FUNC(sstegr,SSTEGR)(const char *jobz,
     eps = GMX_FLOAT_EPS;
     smlnum = safmin / eps;
     bignum = 1. / smlnum;
-    rmin = sqrt(smlnum);
-    d__1 = sqrt(bignum), d__2 = 1. / sqrt(sqrt(safmin));
+    rmin =  std::sqrt(smlnum);
+    d__1 =  std::sqrt(bignum), d__2 = 1. / std::sqrt(sqrt(safmin));
     rmax = (d__1<d__2) ? d__1 : d__2;
     scale = 1.;
     tnrm = F77_FUNC(slanst,SLANST)("M", n, &d__[1], &e[1]);
@@ -138,7 +138,7 @@ F77_FUNC(sstegr,SSTEGR)(const char *jobz,
     } else if (tnrm > rmax) {
 	scale = rmax / tnrm;
     }
-    if ( fabs(scale-1.0)>GMX_FLOAT_EPS) {
+    if ( std::abs(scale-1.0)>GMX_FLOAT_EPS) {
 	F77_FUNC(sscal,SSCAL)(n, &scale, &d__[1], &c__1);
 	i__1 = *n - 1;
 	F77_FUNC(sscal,SSCAL)(&i__1, &scale, &e[1], &c__1);
@@ -180,7 +180,7 @@ F77_FUNC(sstegr,SSTEGR)(const char *jobz,
 	w[j] += e[iwork[iinspl + itmp - 1]];
     } 
 
-    if (fabs(scale-1.0)>GMX_FLOAT_EPS) {
+    if (std::abs(scale-1.0)>GMX_FLOAT_EPS) {
 	d__1 = 1. / scale;
 	F77_FUNC(sscal,SSCAL)(m, &d__1, &w[1], &c__1);
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sstein.c b/src/gromacs/linearalgebra/gmx_lapack/sstein.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/sstein.c
rename to src/gromacs/linearalgebra/gmx_lapack/sstein.cpp
index 998cbd5069..8ae6f8e866 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/sstein.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/sstein.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -81,7 +81,6 @@ F77_FUNC(sstein,SSTEIN)(int *n,
     }
 
     if (*info != 0) {
-	i__1 = -(*info);
 	return;
     }
 
@@ -120,19 +119,19 @@ F77_FUNC(sstein,SSTEIN)(int *n,
 	}
 	gpind = b1;
 
-	onenrm = fabs(d__[b1]) + fabs(e[b1]);
+	onenrm = std::abs(d__[b1]) + std::abs(e[b1]);
 	d__3 = onenrm;
-	d__4 = fabs(d__[bn]) + fabs(e[bn - 1]);
+	d__4 = std::abs(d__[bn]) + std::abs(e[bn - 1]);
 	onenrm = (d__3>d__4) ? d__3 : d__4;
 	i__2 = bn - 1;
 	for (i__ = b1 + 1; i__ <= i__2; ++i__) {
 	  d__4 = onenrm;
-	  d__5 = fabs(d__[i__]) + fabs(e[i__ - 1]) + fabs(e[i__]);
+	  d__5 = std::abs(d__[i__]) + std::abs(e[i__ - 1]) + std::abs(e[i__]);
 	    onenrm = (d__4>d__5) ? d__4 : d__5;
 	}
 	ortol = onenrm * .001;
 
-	dtpcrt = sqrt(.1 / blksiz);
+	dtpcrt =  std::sqrt(.1 / blksiz);
 
 	jblk = 0;
 	i__2 = *m;
@@ -150,7 +149,7 @@ F77_FUNC(sstein,SSTEIN)(int *n,
 	    }
 
 	    if (jblk > 1) {
-		eps1 = fabs(eps * xj);
+		eps1 = std::abs(eps * xj);
 		pertol = eps1 * 10.;
 		sep = xj - xjm;
 		if (sep < pertol) {
@@ -180,7 +179,7 @@ L70:
 	    }
 
 	    d__2 = eps;
-	    d__3 = fabs(work[indrv4 + blksiz]);
+	    d__3 = std::abs(work[indrv4 + blksiz]);
 	    scl = blksiz * onenrm * ((d__2>d__3) ? d__2 : d__3) / F77_FUNC(sasum,SASUM)(&blksiz, &work[
 		    indrv1 + 1], &c__1);
 	    F77_FUNC(sscal,SSCAL)(&blksiz, &scl, &work[indrv1 + 1], &c__1);
@@ -192,7 +191,7 @@ L70:
 	    if (jblk == 1) {
 		goto L90;
 	    }
-	    if (fabs(xj - xjm) > ortol) {
+	    if (std::abs(xj - xjm) > ortol) {
 		gpind = j;
 	    }
 	    if (gpind != j) {
@@ -207,7 +206,7 @@ L70:
 
 L90:
 	    jmax = F77_FUNC(isamax,ISAMAX)(&blksiz, &work[indrv1 + 1], &c__1);
-	    nrm = fabs(work[indrv1 + jmax]);
+	    nrm = std::abs(work[indrv1 + jmax]);
 
 	    if (nrm < dtpcrt) {
 		goto L70;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ssteqr.c b/src/gromacs/linearalgebra/gmx_lapack/ssteqr.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/ssteqr.c
rename to src/gromacs/linearalgebra/gmx_lapack/ssteqr.cpp
index 8d83e3b52b..fbf6adfba1 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/ssteqr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/ssteqr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "gromacs/utility/real.h"
 
 #include "../gmx_blas.h"
@@ -90,8 +90,8 @@ F77_FUNC(ssteqr,SSTEQR)(const char *    compz,
     safmin = minval*(1.0+GMX_FLOAT_EPS);
 
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax =  std::sqrt(safmax) / 3.;
+    ssfmin =  std::sqrt(safmin) / eps2;
 
     if (icompz == 2) {
 	F77_FUNC(slaset,SLASET)("Full", n, n, &c_b9, &c_b10, &z__[z_offset], ldz);
@@ -113,11 +113,11 @@ L10:
     if (l1 <= nm1) {
 	i__1 = nm1;
 	for (m = l1; m <= i__1; ++m) {
-	    tst = fabs(e[m]);
-	    if (fabs(tst)<GMX_FLOAT_MIN) {
+	    tst = std::abs(e[m]);
+	    if (std::abs(tst)<GMX_FLOAT_MIN) {
 		goto L30;
 	    }
-	    if (tst <= sqrt(fabs(d__[m])) * sqrt(fabs(d__[m + 1])) * eps) {
+	    if (tst <=  std::sqrt(std::abs(d__[m])) * std::sqrt(std::abs(d__[m + 1])) * eps) {
 		e[m] = 0.;
 		goto L30;
 	    }
@@ -138,7 +138,7 @@ L30:
     i__1 = lend - l + 1;
     anorm = F77_FUNC(slanst,SLANST)("I", &i__1, &d__[l], &e[l]);
     iscale = 0;
-    if (fabs(anorm)<GMX_FLOAT_MIN) {
+    if (std::abs(anorm)<GMX_FLOAT_MIN) {
 	goto L10;
     }
     if (anorm > ssfmax) {
@@ -159,7 +159,7 @@ L30:
 		info);
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l])) {
+    if (std::abs(d__[lend]) < std::abs(d__[l])) {
 	lend = lsv;
 	l = lendsv;
     }
@@ -171,9 +171,9 @@ L40:
 	    lendm1 = lend - 1;
 	    i__1 = lendm1;
 	    for (m = l; m <= i__1; ++m) {
-  	        d__2 = fabs(e[m]);
+  	        d__2 = std::abs(e[m]);
 		tst = d__2 * d__2;
-		if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m+ 1]) + safmin) {
+		if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m+ 1]) + safmin) {
 		    goto L60;
 		}
 	    }
@@ -270,9 +270,9 @@ L90:
 	    lendp1 = lend + 1;
 	    i__1 = lendp1;
 	    for (m = l; m >= i__1; --m) {
-		d__2 = fabs(e[m - 1]);
+		d__2 = std::abs(e[m - 1]);
 		tst = d__2 * d__2;
-		if (tst <= eps2 * fabs(d__[m]) * fabs(d__[m- 1]) + safmin) {
+		if (tst <= eps2 * std::abs(d__[m]) * std::abs(d__[m- 1]) + safmin) {
 		    goto L110;
 		}
 	    }
@@ -386,7 +386,7 @@ L140:
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__])>GMX_FLOAT_MIN) {
+	if (std::abs(e[i__])>GMX_FLOAT_MIN) {
 	    ++(*info);
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ssterf.c b/src/gromacs/linearalgebra/gmx_lapack/ssterf.cpp
similarity index 89%
rename from src/gromacs/linearalgebra/gmx_lapack/ssterf.c
rename to src/gromacs/linearalgebra/gmx_lapack/ssterf.cpp
index 277aae9fa1..ee98d5fb6c 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/ssterf.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/ssterf.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
 
@@ -52,8 +52,8 @@ F77_FUNC(ssterf,SSTERF)(int *n,
     d__1 = eps;
     eps2 = d__1 * d__1;
     safmax = 1. / safmin;
-    ssfmax = sqrt(safmax) / 3.;
-    ssfmin = sqrt(safmin) / eps2;
+    ssfmax =  std::sqrt(safmax) / 3.;
+    ssfmin =  std::sqrt(safmin) / eps2;
 
     nmaxit = *n * 30;
     sigma = 0.;
@@ -71,8 +71,8 @@ L10:
     }
     i__1 = *n - 1;
     for (m = l1; m <= i__1; ++m) {
-	if (fabs(e[m]) <= sqrt(fabs(d__[m])) * 
-		sqrt(fabs(d__[m + 1])) * eps) {
+	if (std::abs(e[m]) <=  std::sqrt(std::abs(d__[m])) * 
+		 std::sqrt(std::abs(d__[m + 1])) * eps) {
 	    e[m] = 0.;
 	    goto L30;
 	}
@@ -116,7 +116,7 @@ L30:
 	e[i__] = d__1 * d__1;
     }
 
-    if (fabs(d__[lend]) < fabs(d__[l])) {
+    if (std::abs(d__[lend]) < std::abs(d__[l])) {
 	lend = lsv;
 	l = lendsv;
     }
@@ -127,7 +127,7 @@ L50:
 	if (l != lend) {
 	    i__1 = lend - 1;
 	    for (m = l; m <= i__1; ++m) {
-		if (fabs(e[m]) <= eps2 * fabs(d__[m] * d__[m + 1])) {
+		if (std::abs(e[m]) <= eps2 * std::abs(d__[m] * d__[m + 1])) {
 		    goto L70;
 		}
 	    }
@@ -143,7 +143,7 @@ L70:
 	    goto L90;
 	}
 	if (m == l + 1) {
-	    rte = sqrt(e[l]);
+	    rte =  std::sqrt(e[l]);
 	    F77_FUNC(slae2,SLAE2)(&d__[l], &rte, &d__[l + 1], &rt1, &rt2);
 	    d__[l] = rt1;
 	    d__[l + 1] = rt2;
@@ -160,7 +160,7 @@ L70:
 	}
 	++jtot;
 
-	rte = sqrt(e[l]);
+	rte =  std::sqrt(e[l]);
 	sigma = (d__[l + 1] - p) / (rte * 2.);
 	r__ = F77_FUNC(slapy2,SLAPY2)(&sigma, &c_b32);
 	sigma = p - rte / (sigma + ( (sigma>0) ? r__ : -r__));
@@ -184,7 +184,7 @@ L70:
 	    alpha = d__[i__];
 	    gamma = c__ * (alpha - sigma) - s * oldgam;
 	    d__[i__ + 1] = oldgam + (alpha - gamma);
-	    if (fabs(c__)>GMX_FLOAT_MIN) {
+	    if (std::abs(c__)>GMX_FLOAT_MIN) {
 		p = gamma * gamma / c__;
 	    } else {
 		p = oldc * bb;
@@ -209,7 +209,7 @@ L90:
 L100:
 	i__1 = lend + 1;
 	for (m = l; m >= i__1; --m) {
-	    if (fabs(e[m - 1]) <= eps2 * fabs(d__[m] * d__[m - 1])) {
+	    if (std::abs(e[m - 1]) <= eps2 * std::abs(d__[m] * d__[m - 1])) {
 		goto L120;
 	    }
 	}
@@ -225,7 +225,7 @@ L120:
 	}
 
 	if (m == l - 1) {
-	    rte = sqrt(e[l - 1]);
+	    rte =  std::sqrt(e[l - 1]);
 	    F77_FUNC(slae2,SLAE2)(&d__[l], &rte, &d__[l - 1], &rt1, &rt2);
 	    d__[l] = rt1;
 	    d__[l - 1] = rt2;
@@ -242,7 +242,7 @@ L120:
 	}
 	++jtot;
 
-	rte = sqrt(e[l - 1]);
+	rte =  std::sqrt(e[l - 1]);
 	sigma = (d__[l - 1] - p) / (rte * 2.);
 	r__ = F77_FUNC(slapy2,SLAPY2)(&sigma, &c_b32);
 	sigma = p - rte / (sigma + ( (sigma>0) ? r__ : -r__));
@@ -266,7 +266,7 @@ L120:
 	    alpha = d__[i__ + 1];
 	    gamma = c__ * (alpha - sigma) - s * oldgam;
 	    d__[i__] = oldgam + (alpha - gamma);
-	    if (fabs(c__)>GMX_FLOAT_MIN) {
+	    if (std::abs(c__)>GMX_FLOAT_MIN) {
 		p = gamma * gamma / c__;
 	    } else {
 		p = oldc * bb;
@@ -305,7 +305,7 @@ L150:
     }
     i__1 = *n - 1;
     for (i__ = 1; i__ <= i__1; ++i__) {
-	if (fabs(e[i__])>GMX_FLOAT_MIN) {
+	if (std::abs(e[i__])>GMX_FLOAT_MIN) {
 	    ++(*info);
 	}
     }
diff --git a/src/gromacs/linearalgebra/gmx_lapack/sstevr.c b/src/gromacs/linearalgebra/gmx_lapack/sstevr.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/sstevr.c
rename to src/gromacs/linearalgebra/gmx_lapack/sstevr.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ssyevr.c b/src/gromacs/linearalgebra/gmx_lapack/ssyevr.cpp
similarity index 83%
rename from src/gromacs/linearalgebra/gmx_lapack/ssyevr.c
rename to src/gromacs/linearalgebra/gmx_lapack/ssyevr.cpp
index 83a079611e..d66b1652e4 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/ssyevr.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/ssyevr.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -20,7 +20,7 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
     /* Local variables */
     int c__1 = 1;
     int i__, j, nb, jj;
-    float eps, vll, vuu, tmp1;
+    float eps, tmp1;
     int indd, inde;
     float anrm;
     int imax;
@@ -32,10 +32,10 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
     int lwmin;
     int lower, wantz;
     int alleig, indeig;
-    int iscale, ieeeok, indibl, indifl;
+    int iscale, indibl, indifl;
     int valeig;
     float safmin,minval;
-    float abstll, bignum;
+    float bignum;
     int indtau;
     int indwkn;
     int liwmin;
@@ -43,10 +43,6 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
     float smlnum;
     int lwkopt;
     int lquery;
-    float posinf,neginf,negzro,newzro;
-    float fzero = 0.0;
-    float fone = 1.0;
-
     
     /* Parameter adjustments */
     a_dim1 = *lda;
@@ -60,33 +56,6 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
     --work;
     --iwork;
 
-    /* Check for IEEE-compliant FP */
-    ieeeok = 1;
-    posinf = fone/fzero;
-    if(posinf<=1.0)
-      ieeeok = 0;
-    neginf = -fone/fzero;
-    if(neginf>=0.0)
-      ieeeok = 0;
-    negzro = fone/(neginf+fone);
-    if(negzro!=0)
-      ieeeok = 0;
-    neginf = fone/negzro;
-    if(neginf>=0)
-      ieeeok = 0;
-    newzro = negzro + fzero;
-    if(newzro!=fzero)
-      ieeeok = 0;
-    posinf = fone /newzro;
-    if(posinf<=fone)
-      ieeeok = 0;
-    neginf = neginf*posinf;
-    if(neginf>=fzero)
-      ieeeok = 0;
-    posinf = posinf*posinf;
-    if(posinf<=1.0)
-      ieeeok = 0;
-
     lower = (*uplo=='L' || *uplo=='l');
     wantz = (*jobz=='V' || *jobz=='v');
     alleig = (*range=='A' || *range=='a');
@@ -184,15 +153,12 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
 
     smlnum = safmin / eps;
     bignum = 1. / smlnum;
-    rmin = sqrt(smlnum);
+    rmin =  std::sqrt(smlnum);
 
-    d__1 = sqrt(bignum), d__2 = 1. / sqrt(sqrt(safmin));
+    d__1 =  std::sqrt(bignum), d__2 = 1. / std::sqrt(sqrt(safmin));
     rmax = (d__1<d__2) ? d__1 : d__2;
 
     iscale = 0;
-    abstll = *abstol;
-    vll = *vl;
-    vuu = *vu;
     anrm = F77_FUNC(slansy,SLANSY)("M", uplo, n, &a[a_offset], lda, &work[1]);
     if (anrm > 0. && anrm < rmin) {
 	iscale = 1;
@@ -215,13 +181,6 @@ F77_FUNC(ssyevr,SSYEVR)(const char *jobz, const char *range, const char *uplo, i
 
 	    }
 	}
-	if (*abstol > 0.) {
-	    abstll = *abstol * sigma;
-	}
-	if (valeig) {
-	    vll = *vl * sigma;
-	    vuu = *vu * sigma;
-	}
     }
 
     indtau = 1;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ssytd2.c b/src/gromacs/linearalgebra/gmx_lapack/ssytd2.cpp
similarity index 92%
rename from src/gromacs/linearalgebra/gmx_lapack/ssytd2.c
rename to src/gromacs/linearalgebra/gmx_lapack/ssytd2.cpp
index 5b719704df..2bf0d3e546 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/ssytd2.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/ssytd2.cpp
@@ -1,5 +1,5 @@
-#include <ctype.h>
-#include <math.h>
+#include <cctype>
+#include <cmath>
 
 #include "gromacs/utility/real.h"
 
@@ -19,7 +19,7 @@ F77_FUNC(ssytd2,SSYTD2)(const char *    uplo,
   float minusone,zero;
   float taui,alpha,tmp;
   int ti1,ti2,ti3,i;
-  const char ch=toupper(*uplo);
+  const char ch=std::toupper(*uplo);
 
   zero = 0.0;
   minusone = -1.0;
@@ -33,7 +33,7 @@ F77_FUNC(ssytd2,SSYTD2)(const char *    uplo,
       ti1 = 1;
       F77_FUNC(slarfg,SLARFG)(&i,&(a[i*(*lda)+(i-1)]),&(a[i*(*lda)+0]),&ti1,&taui);
       e[i-1] = a[i*(*lda) + (i-1)];
-      if(fabs(taui)>GMX_FLOAT_MIN) {
+      if(std::abs(taui)>GMX_FLOAT_MIN) {
 	a[i*(*lda)+(i-1)] = 1.0;
       
 	ti1 = 1;
@@ -67,7 +67,7 @@ F77_FUNC(ssytd2,SSYTD2)(const char *    uplo,
 
       e[i-1] = a[(i-1)*(*lda) + (i)];
 
-      if(fabs(taui)>GMX_FLOAT_MIN) {
+      if(std::abs(taui)>GMX_FLOAT_MIN) {
 	a[(i-1)*(*lda)+(i)] = 1.0;
       
 	ti1 = *n - i;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/ssytrd.c b/src/gromacs/linearalgebra/gmx_lapack/ssytrd.cpp
similarity index 99%
rename from src/gromacs/linearalgebra/gmx_lapack/ssytrd.c
rename to src/gromacs/linearalgebra/gmx_lapack/ssytrd.cpp
index 2a5b639046..46357f58a8 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/ssytrd.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/ssytrd.cpp
@@ -61,7 +61,6 @@ F77_FUNC(ssytrd,SSYTRD)(const char *uplo, int *n, float *a, int *
     }
 
     nx = *n;
-    iws = 1;
     if (nb > 1 && nb < *n) {
 
 	nx = DSYTRD_CROSSOVER;
diff --git a/src/gromacs/linearalgebra/gmx_lapack/strti2.c b/src/gromacs/linearalgebra/gmx_lapack/strti2.cpp
similarity index 100%
rename from src/gromacs/linearalgebra/gmx_lapack/strti2.c
rename to src/gromacs/linearalgebra/gmx_lapack/strti2.cpp
diff --git a/src/gromacs/linearalgebra/gmx_lapack/strtri.c b/src/gromacs/linearalgebra/gmx_lapack/strtri.cpp
similarity index 96%
rename from src/gromacs/linearalgebra/gmx_lapack/strtri.c
rename to src/gromacs/linearalgebra/gmx_lapack/strtri.cpp
index 15b1aaa68b..57620ec43e 100644
--- a/src/gromacs/linearalgebra/gmx_lapack/strtri.c
+++ b/src/gromacs/linearalgebra/gmx_lapack/strtri.cpp
@@ -1,4 +1,4 @@
-#include <math.h>
+#include <cmath>
 #include "../gmx_blas.h"
 #include "../gmx_lapack.h"
 #include "lapack_limits.h"
@@ -41,7 +41,7 @@ F77_FUNC(strtri,STRTRI)(const char *uplo,
     if (nounit) {
 	i__1 = *n;
 	for (*info = 1; *info <= i__1; ++(*info)) {
-	    if (fabs(a[*info + *info * a_dim1])<GMX_FLOAT_MIN) {
+	    if (std::abs(a[*info + *info * a_dim1])<GMX_FLOAT_MIN) {
 		return;
 	    }
 	}
diff --git a/src/gromacs/linearalgebra/matrix.c b/src/gromacs/linearalgebra/matrix.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/matrix.c
rename to src/gromacs/linearalgebra/matrix.cpp
index e646067ed7..3673fd0bbb 100644
--- a/src/gromacs/linearalgebra/matrix.c
+++ b/src/gromacs/linearalgebra/matrix.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2008, The GROMACS development team.
- * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -65,8 +65,6 @@ double **alloc_matrix(int n, int m)
 
 void free_matrix(double **a)
 {
-    int i;
-
     sfree(a[0]);
     sfree(a);
 }
@@ -192,7 +190,7 @@ int matrix_invert(FILE *fp, int n, double **a)
 double multi_regression(FILE *fp, int nrow, double *y, int ncol,
                         double **xx, double *a0)
 {
-    int    row, niter, i, j;
+    int    row, i, j;
     double ax, chi2, **a, **at, **ata, *atx;
 
     a   = alloc_matrix(nrow, ncol);
diff --git a/src/gromacs/linearalgebra/nrjac.c b/src/gromacs/linearalgebra/nrjac.cpp
similarity index 90%
rename from src/gromacs/linearalgebra/nrjac.c
rename to src/gromacs/linearalgebra/nrjac.cpp
index 2b023bcd79..37de48e951 100644
--- a/src/gromacs/linearalgebra/nrjac.c
+++ b/src/gromacs/linearalgebra/nrjac.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -39,7 +39,7 @@
 
 #include "nrjac.h"
 
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
@@ -83,7 +83,7 @@ void jacobi(double **a, int n, double d[], double **v, int *nrot)
         {
             for (iq = ip+1; iq < n; iq++)
             {
-                sm += fabs(a[ip][iq]);
+                sm += std::abs(a[ip][iq]);
             }
         }
         if (sm == 0.0)
@@ -104,29 +104,29 @@ void jacobi(double **a, int n, double d[], double **v, int *nrot)
         {
             for (iq = ip+1; iq < n; iq++)
             {
-                g = 100.0*fabs(a[ip][iq]);
-                if (i > 4 && fabs(d[ip])+g == fabs(d[ip])
-                    && fabs(d[iq])+g == fabs(d[iq]))
+                g = 100.0*std::abs(a[ip][iq]);
+                if (i > 4 && std::abs(d[ip])+g == std::abs(d[ip])
+                    && std::abs(d[iq])+g == std::abs(d[iq]))
                 {
                     a[ip][iq] = 0.0;
                 }
-                else if (fabs(a[ip][iq]) > tresh)
+                else if (std::abs(a[ip][iq]) > tresh)
                 {
                     h = d[iq]-d[ip];
-                    if (fabs(h)+g == fabs(h))
+                    if (std::abs(h)+g == std::abs(h))
                     {
                         t = (a[ip][iq])/h;
                     }
                     else
                     {
                         theta = 0.5*h/(a[ip][iq]);
-                        t     = 1.0/(fabs(theta)+sqrt(1.0+theta*theta));
+                        t     = 1.0/(std::abs(theta)+std::sqrt(1.0+theta*theta));
                         if (theta < 0.0)
                         {
                             t = -t;
                         }
                     }
-                    c         = 1.0/sqrt(1+t*t);
+                    c         = 1.0/std::sqrt(1+t*t);
                     s         = t*c;
                     tau       = s/(1.0+c);
                     h         = t*a[ip][iq];
@@ -192,7 +192,7 @@ int m_inv_gen(real **m, int n, real **minv)
     tol = 0;
     for (i = 0; i < n; i++)
     {
-        tol += fabs(md[i][i]);
+        tol += std::abs(md[i][i]);
     }
     tol = 1e-6*tol/n;
 
@@ -201,7 +201,7 @@ int m_inv_gen(real **m, int n, real **minv)
     nzero = 0;
     for (i = 0; i < n; i++)
     {
-        if (fabs(eig[i]) < tol)
+        if (std::abs(eig[i]) < tol)
         {
             eig[i] = 0;
             nzero++;
diff --git a/src/gromacs/linearalgebra/sparsematrix.c b/src/gromacs/linearalgebra/sparsematrix.cpp
similarity index 98%
rename from src/gromacs/linearalgebra/sparsematrix.c
rename to src/gromacs/linearalgebra/sparsematrix.cpp
index 5b2405c3de..5dea002f70 100644
--- a/src/gromacs/linearalgebra/sparsematrix.c
+++ b/src/gromacs/linearalgebra/sparsematrix.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -38,10 +38,11 @@
 
 #include "sparsematrix.h"
 
-#include <assert.h>
 #include <stdio.h>
 #include <stdlib.h>
 
+#include <cassert>
+
 #include "gromacs/utility/smalloc.h"
 
 gmx_sparsematrix_t *
@@ -109,7 +110,6 @@ gmx_sparsematrix_print(FILE *                 stream,
         else
         {
             k = 0;
-            j = 0;
             for (j = 0; j < A->ndata[i]; j++)
             {
                 while (k++ < A->data[i][j].col)
@@ -304,7 +304,6 @@ gmx_sparsematrix_vector_multiply(gmx_sparsematrix_t *    A,
         /* not compressed symmetric storage */
         for (i = 0; i < A->nrow; i++)
         {
-            xi   = x[i];
             s    = 0.0;
             data = A->data[i];
 
-- 
2.11.4.GIT