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Moved genborn.h to mdlib
2015-11-05
E
r
ik Lindah
l
A
v
oid
__vectorcall with clang f
o
r r
e
ference build
commit
|
commitdiff
|
tree
2015-11-02
Erik
Lindahl
Enable 64-b
i
t cyc
l
e coun
t
ers on ARMV7a
commit
|
commitdiff
|
tree
2015-11-02
E
r
ik
Lindahl
Split SIMD
implemen
t
ations into
4
f
iles
commit
|
commitdiff
|
tree
2015-11-02
Erik Li
n
dahl
Moved GMX
_
SIMD_* macros
f
rom
i
fdef
s
to values
0
/
1
commit
|
commitdiff
|
tree
2015-10-30
Er
i
k L
i
n
d
ahl
B
reak de
p
endence of
g
r
oup kerne
l
s o
n
si
m
d mo
d
u
l
e
commit
|
commitdiff
|
tree
2015-10-23
Erik Li
n
dahl
Ad
d
ed Aligned
A
llocat
o
r class
commit
|
commitdiff
|
tree
2015-10-22
Er
i
k
Lind
a
hl
Merge "Merge
r
elease-5
-
0
i
n
t
o
release-5-1" into release
-
5
-
1
commit
|
commitdiff
|
tree
2015-10-14
Erik Li
n
dahl
Another quote
f
rom Economist
today
commit
|
commitdiff
|
tree
2015-10-13
Erik
Lindahl
Replace GROMAC
S
-sp
e
c
ifi
c
math functions
w
ith C
+
+11
.
.
.
commit
|
commitdiff
|
tree
2015-10-13
Erik
L
indah
l
Moved no
n
bon
d
ed source
s
t
o C++
commit
|
commitdiff
|
tree
2015-10-13
Erik Lin
d
ahl
Moved last
n
bnxn
_
k
e
rnel sources to C++
commit
|
commitdiff
|
tree
2015-10-05
Erik Lindahl
Added try/ca
t
ch statements
in OpenMP regions and t
M
P
I
.
.
.
commit
|
commitdiff
|
tree
2015-09-27
Erik L
i
ndah
l
Fix
un
u
sed va
r
iabl
e
w
a
rnin
g
s for gcc-4
.
6
.
4
commit
|
commitdiff
|
tree
2015-09-22
E
r
ik
L
i
n
da
h
l
Conve
r
t
n
bnxn sear
c
h,grid,
a
tomdata
t
o C++
commit
|
commitdiff
|
tree
2015-09-07
Erik Lindahl
Moved linea
r
algebra
s
ourc
e
s
t
o C++
commit
|
commitdiff
|
tree
2015-08-29
Erik
L
indahl
F
i
x FP ex
c
eption in
r
efe
r
ence build
commit
|
commitdiff
|
tree
2015-08-12
Erik
Lindahl
Preve
n
t AMD OpenCL on OS X prior to 10
.
10
.
4
commit
|
commitdiff
|
tree
2015-08-11
Er
i
k
Lindahl
Fix
for processors
being off
l
in
e
on Ar
m
commit
|
commitdiff
|
tree
2015-08-06
E
rik
L
indahl
Avoid usi
n
g
C++11-spec
i
fic d
a
t
a
(
)
o
f st
d
::ve
c
tor
commit
|
commitdiff
|
tree
2015-08-05
Eri
k
Li
n
dahl
Fix PGI comp
i
ler
f
lag
commit
|
commitdiff
|
tree
2015-07-29
Eri
k
Lindahl
Moved another bunch
o
f md
l
ib
u
t
ils
to
C++
commit
|
commitdiff
|
tree
2015-07-29
Erik
L
indahl
Fix a table gener
a
tion bug for
p
me-shift
commit
|
commitdiff
|
tree
2015-07-29
Erik Lindahl
Update naming standards to
a
v
o
id hungarian notatio
n
.
.
.
commit
|
commitdiff
|
tree
2015-07-28
Erik Lindahl
M
o
ved sec
o
nd half of
gmxana
tools to C++
commit
|
commitdiff
|
tree
2015-07-28
Erik Lindahl
Moved first batch of analysis tool source to C++
commit
|
commitdiff
|
tree
2015-07-28
Erik
L
indahl
C
o
nvert s
u
pport files in gmxana to C+
+
commit
|
commitdiff
|
tree
2015-07-28
E
rik Linda
h
l
Moved timi
n
g source t
o
C++
commit
|
commitdiff
|
tree
2015-07-27
E
r
ik Lindahl
Moved
additional gmxl
i
b so
u
rce
s
to C
+
+
commit
|
commitdiff
|
tree
2015-07-26
Erik Linda
h
l
Merg
e
branch rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-07-17
Er
i
k Li
n
dahl
Moved stat
i
stics source to
C++
commit
|
commitdiff
|
tree
2015-07-17
Er
i
k Li
n
dahl
Fixed static analyzer wa
r
n
ings
commit
|
commitdiff
|
tree
2015-07-17
Erik Lindahl
Fix
i
ncorrect war
n
ing about only usin
g
single core
commit
|
commitdiff
|
tree
2015-07-14
Erik Lindahl
Move
fileio s
o
urces
t
o C++
commit
|
commitdiff
|
tree
2015-07-14
Erik Lin
d
ahl
M
o
ve
r
emaining C
f
ile
s
in utili
t
y
to C++
commit
|
commitdiff
|
tree
2015-07-10
Erik Lindahl
Use cmak
e
define01
f
or
m
ore
tr
i
vi
a
l defines
commit
|
commitdiff
|
tree
2015-07-10
E
rik
L
inda
h
l
Moved tools files to C++
commit
|
commitdiff
|
tree
2015-07-09
E
r
ik Linda
h
l
Merge "Merge rele
a
se-5-1
i
nto master
"
commit
|
commitdiff
|
tree
2015-07-08
Erik Lindahl
Move
g
e
ne
r
alized born to C++
commit
|
commitdiff
|
tree
2015-07-08
Erik Lindah
l
Move FFT defines
to
u
s
e cmakedef
i
ne01
commit
|
commitdiff
|
tree
2015-07-08
Erik Lind
a
hl
M
ove en
d
i
a
n,
f
l
oat for
m
at and XD
R
se
t
ti
n
gs to cma
k
edefine01
commit
|
commitdiff
|
tree
2015-07-08
Erik Lindahl
Cle
a
nup and remove unused
S
SE2 generalized born c
o
de
commit
|
commitdiff
|
tree
2015-07-08
Erik Lindahl
Move
old
nei
g
hborsearch code to C
+
+
commit
|
commitdiff
|
tree
2015-07-07
Eri
k
L
inda
h
l
Mo
v
e QMMM
s
ource to C+
+
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
ah
l
Fix
OS X openCL builds
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
ah
l
Fi
x
bugs in gmx dos
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Repl
a
ce func
t
ions deprecate
d
in
O
penC
L
1
.
2
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
F
i
x bug r
e
m
oving
multiple dihed
r
al
s
in main rtp en
t
ries
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
R
e
m
o
ve
d
gmx prot
o
nate tool
commit
|
commitdiff
|
tree
2015-06-28
E
r
ik Lin
d
ahl
Fix do
u
bl
e
precision reference SIMD and
gcc bug
commit
|
commitdiff
|
tree
2015-06-28
Erik Li
n
d
ahl
Fix one
err
o
r
a
n
d compiler warning
s
with Cuda & clang-3
.
6
commit
|
commitdiff
|
tree
2015-06-27
Erik L
i
n
dahl
Fix I
B
M VSX SIMD c
o
mpiles with
x
lc
commit
|
commitdiff
|
tree
2015-06-27
Erik
L
indahl
Fix single-pre
c
.
s
o
ftco
r
e
issue in 4
.
6 branch
commit
|
commitdiff
|
tree
2015-06-27
E
r
ik Lind
a
hl
M
erg
e
"Merge release-5-0
into
m
a
s
ter
"
commit
|
commitdiff
|
tree
2015-06-26
E
r
ik Lindahl
Fix com
p
il
e
issues on K
c
om
p
uter
commit
|
commitdiff
|
tree
2015-06-26
Erik
L
indahl
Fix buffer
s
ize issues in string d
a
tabase
commit
|
commitdiff
|
tree
2015-06-25
E
rik Lindahl
Fix e
d
r append
i
ng a
n
d exact con
t
inuation
commit
|
commitdiff
|
tree
2015-06-25
Erik
Lindah
l
Fix binary exact
con
t
inuation for
tra
j
e
c
tories
commit
|
commitdiff
|
tree
2015-06-24
E
r
ik Lindahl
Avoid accessing hac
k
bl
o
cks for
x
2to
p
commit
|
commitdiff
|
tree
2015-06-23
Eri
k
Linda
h
l
Updated p
h
ysical co
n
st
a
nts from NIST 2
0
10 CO
D
ATA
commit
|
commitdiff
|
tree
2015-06-23
Erik Li
n
da
h
l
Removed
b
uggy -s
m
ooth ha
c
k
in hbond modul
e
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fi
x
compiler warnin
g
s
i
n cmake
t
ests
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Use
M
PI_THREAD_FUNNEL
E
D wh
e
n available
commit
|
commitdiff
|
tree
2015-06-22
E
r
ik Lin
d
ahl
Fix segfault in
r
a
nd
o
m acc
e
ss
X
TC
s
earchin
g
commit
|
commitdiff
|
tree
2015-06-22
Er
i
k Lindahl
Fix argument orde
r
error
f
or g_rmsdist
commit
|
commitdiff
|
tree
2015-06-22
Erik Lind
a
hl
Fix gro erro
r
s with PDB
insert
i
o
n
codes
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Updated docs for g_gyrate
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Fix potential buffer
o
v
e
r
flow in pdb2gmx
commit
|
commitdiff
|
tree
2015-06-20
Eri
k
Lin
d
ahl
D
i
sallow infinite epsilon
w
ith PME or GB
.
commit
|
commitdiff
|
tree
2015-06-20
Erik Lin
d
ahl
Remove GM
X
_MAX_MPI_THREADS
commit
|
commitdiff
|
tree
2015-06-20
Erik Linda
h
l
Fix rep
r
oducibility bug in ff
t
5d
commit
|
commitdiff
|
tree
2015-06-20
E
r
ik
Linda
h
l
Handle
m
ultidir/multisim with
s
in
g
le argument correct
l
y
commit
|
commitdiff
|
tree
2015-06-19
E
r
i
k
L
indahl
Fix i
n
correct s
h
ift
w
ith g_density -cent
e
r
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Fix CUDA
v
ersion info i
n
NVML
applicati
o
n c
l
ock war
n
ing
commit
|
commitdiff
|
tree
2015-06-16
Eri
k
Lindahl
Ad
d
membra
n
e embeddin
g
docs
commit
|
commitdiff
|
tree
2015-06-16
Er
i
k Lindahl
Updated FFT
W
r
e
commenda
t
i
o
ns in install-guide
.
commit
|
commitdiff
|
tree
2015-06-16
Erik Lin
d
a
hl
F
ix segfaul
t
with timer
rese
t
and -nb cpu
commit
|
commitdiff
|
tree
2015-06-16
Er
i
k Lin
d
ahl
Avo
i
d war
n
ing
a
bout affinity
on Blue Gene, reduc
e
warnings
commit
|
commitdiff
|
tree
2015-06-15
Erik L
i
ndahl
Fix OS
X
FFTW bu
i
ld f
a
ilures introduce
d
86a
7
72
commit
|
commitdiff
|
tree
2015-06-15
Erik
Lind
a
hl
Fixed S
I
M
D
d
e
te
c
tion and flags common fo
r
IBM archs
commit
|
commitdiff
|
tree
2015-06-07
E
rik Lindahl
Fix
out-
o
f-range i
n
teger literals for threefry
commit
|
commitdiff
|
tree
2015-06-04
Er
i
k Lindahl
More new quot
e
s
commit
|
commitdiff
|
tree
2015-05-17
Erik Lindahl
Adde
d
h
a
cks for S
I
MD rvec/load sto
r
e in l
i
ncs &
b
o
n
d
eds
commit
|
commitdiff
|
tree
2015-03-30
E
rik Lindahl
Quote fro
m
Szila
r
d
's talk at GTC
2
015
commit
|
commitdiff
|
tree
2015-03-25
Erik Lin
d
a
h
l
Quote
f
r
o
m Jen-Hs
u
n
a
t the NVIDIA GTC conference 2015
commit
|
commitdiff
|
tree
2015-03-03
Erik Lin
d
a
h
l
Added single-accuracy SIMD double ma
t
h functio
n
s
commit
|
commitdiff
|
tree
2015-02-24
Erik
L
in
d
ah
l
Ad
d
e
d AVX-512ER S
I
MD suppor
t
commit
|
commitdiff
|
tree
2015-02-24
Erik L
i
ndahl
A
dd AV
X
-512F SIMD
s
upp
o
rt
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
F
amous
q
u
o
te from Coll
e
en
M
cC
u
ll
o
ugh
commit
|
commitdiff
|
tree
2015-02-20
E
rik
Lindahl
Adde
d
two pop-cultu
r
e quot
e
s
fr
o
m
A
ndy W
a
r
h
ol
.
commit
|
commitdiff
|
tree
2015-01-19
Erik Lindahl
Adde
d
two q
u
otes fr
o
m Julie Bernau
e
r hab
i
l
itat
i
o
n
commit
|
commitdiff
|
tree
2014-09-30
Erik
L
i
ndahl
Add Power8 VSX SIMD support
commit
|
commitdiff
|
tree
2014-09-30
E
r
ik Lindahl
Avoi
d
using
funct
i
on calls in OpenMP direct
i
v
es
commit
|
commitdiff
|
tree
2014-09-22
Erik
L
indahl
Mo
r
e quotes
commit
|
commitdiff
|
tree
2014-09-20
Erik Li
n
dahl
Fix RelWithDebInfo name bugs, and use ful
l
optimizati
o
n
.
commit
|
commitdiff
|
tree
2014-09-20
Erik Lind
a
hl
Added a bun
c
h
o
f
n
e
w and old qu
o
tes
.
commit
|
commitdiff
|
tree
2014-09-18
Er
i
k Lindahl
Add Power/Power
P
C VMX SI
M
D support
commit
|
commitdiff
|
tree
2014-09-11
Erik Lindahl
Enable static anon
namespace workaround on pat
h
scale
commit
|
commitdiff
|
tree
2014-09-10
E
r
ik Lindahl
Im
p
r
o
ve
p
erfo
r
m
ance of MIC expone
n
tial
commit
|
commitdiff
|
tree
2014-09-08
Erik Lindahl
Add 64-b
i
t
AArch64 asimd SIMD support
commit
|
commitdiff
|
tree
2014-09-08
Eri
k
Lind
a
hl
A
dd 32-bit ARM Neon SIMD support
commit
|
commitdiff
|
tree
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