| 2018-01-02 |
Erik Lindahl | Don't require matching names between rtp and tdb files
|
commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Don't write reference pull group 0 to log
|
commit | commitdiff | tree |
| 2018-01-01 |
Erik Lindahl | Fix gmx density for non-mass calculations
|
commit | commitdiff | tree |
| 2018-01-01 |
Erik Lindahl | Clarify XTC error message
|
commit | commitdiff | tree |
| 2017-12-26 |
Erik Lindahl | Fix builds on ARM & clarify (ARM) GPU support
|
commit | commitdiff | tree |
| 2017-12-19 |
Erik Lindahl | Use reduced default tolerances for tpx comparison
|
commit | commitdiff | tree |
| 2017-12-14 |
Erik Lindahl | Work around AVX-512 issues in gcc-5.4 and 7.1
|
commit | commitdiff | tree |
| 2017-12-14 |
Erik Lindahl | Fix PBC error in gmx_spatial
|
commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Documented power spectrum to gmx velacc
|
commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Require TPR file for gmx cluster
|
commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Disallow ascii formats for gmx trjcat
|
commit | commitdiff | tree |
| 2017-12-11 |
Erik Lindahl | Remove duplicated lines from OPLS ffbonded.itp
|
commit | commitdiff | tree |
| 2017-12-11 |
Erik Lindahl | Don't warn about NVML clocks that are at max
|
commit | commitdiff | tree |
| 2017-12-10 |
Erik Lindahl | Revert "Disable default-on NVML support in CMake"
|
commit | commitdiff | tree |
| 2017-12-07 |
Erik Lindahl | Added cool quote from Viveca's defense
|
commit | commitdiff | tree |
| 2017-12-04 |
Erik Lindahl | Fix compilation issues for AVX-512
|
commit | commitdiff | tree |
| 2017-11-28 |
Erik Lindahl | Fix AVX-512 SIMD test for C
|
commit | commitdiff | tree |
| 2017-11-28 |
Erik Lindahl | Improve status messages for SIMD checks
|
commit | commitdiff | tree |
| 2017-11-27 |
Erik Lindahl | Test more AVX-512F instructions before enabling support
|
commit | commitdiff | tree |
| 2017-11-24 |
Erik Lindahl | Detect AVX-512 FMA units to choose best SIMD
|
commit | commitdiff | tree |
| 2017-11-21 |
Erik Lindahl | Separate SIMD flag detection from management
|
commit | commitdiff | tree |
| 2017-11-12 |
Erik Lindahl | Only issue FFT warning messages on changes
|
commit | commitdiff | tree |
| 2017-09-12 |
Erik Lindahl | Improve accuracy of SIMD exp for small args
|
commit | commitdiff | tree |
| 2017-09-04 |
Erik Lindahl | More SIMD math argument checking, added unsafe options
|
commit | commitdiff | tree |
| 2017-08-28 |
Erik Lindahl | Improved SIMD test data to use all bits
|
commit | commitdiff | tree |
| 2017-06-26 |
Erik Lindahl | Fix ARM NEON simd debug builds
|
commit | commitdiff | tree |
| 2017-06-13 |
Erik Lindahl | More quotes
|
commit | commitdiff | tree |
| 2017-05-23 |
Erik Lindahl | Updated cool quotes
|
commit | commitdiff | tree |
| 2017-04-17 |
Erik Lindahl | Fixed AVX-512F compiler flags
|
commit | commitdiff | tree |
| 2017-03-19 |
Erik Lindahl | Use OpenMP up to 16 threads with AMD Ryzen
|
commit | commitdiff | tree |
| 2017-03-19 |
Erik Lindahl | 128-bit AVX2 SIMD for AMD Ryzen
|
commit | commitdiff | tree |
| 2017-03-14 |
Erik Lindahl | Fix gcc compiles of AVX-512 SIMD
|
commit | commitdiff | tree |
| 2017-02-09 |
Erik Lindahl | Work around false xlc-13.1.5 bug in SIMD test
|
commit | commitdiff | tree |
| 2016-10-17 |
Erik Lindahl | New classes for spline interpolation tables
|
commit | commitdiff | tree |
| 2016-09-07 |
Erik Lindahl | Bump oldest cmake, compiler and CUDA versions required
|
commit | commitdiff | tree |
| 2016-08-05 |
Erik Lindahl | Fix proper relative tolerance checking in testutils
|
commit | commitdiff | tree |
| 2016-07-11 |
Erik Lindahl | Fix membed with partial revert of 29943f
|
commit | commitdiff | tree |
| 2016-07-09 |
Erik Lindahl | Hardware detection clean-up and pre/post-processing
|
commit | commitdiff | tree |
| 2016-07-09 |
Erik Lindahl | Prevent fragile use cases of checkpoint appending
|
commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Update affinity checking for Intel compiler
|
commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Add detection for ARMv7 cycle counter support
|
commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Work around compiler issue with random test
|
commit | commitdiff | tree |
| 2016-07-07 |
Erik Lindahl | Reduce hwloc & cpuid test requirements
|
commit | commitdiff | tree |
| 2016-06-08 |
Erik Lindahl | Disable static libcudart on OS X
|
commit | commitdiff | tree |
| 2016-06-04 |
Erik Lindahl | Check number of items read in mdp statements
|
commit | commitdiff | tree |
| 2016-05-27 |
Erik Lindahl | Detect the usage of hwtop XML caching
|
commit | commitdiff | tree |
| 2016-05-21 |
Erik Lindahl | Disable automated FFTW3 builds on Windows
|
commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Fixed large file issue on 32-bit platforms
|
commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Fix precision loss in tabulated normal distribution
|
commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Flush streams when not writing newline character
|
commit | commitdiff | tree |
| 2016-05-09 |
Erik Lindahl | Improved description for GPU/CPU time ratio
|
commit | commitdiff | tree |
| 2016-05-08 |
Erik Lindahl | Fix Luzar/Chander literature reference in g_hbond
|
commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Fix SIMD detection on AMD AVX CPUs w/o fma (master)
|
commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Avoid allocating heap memory for tabulated distribution
|
commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix hwloc narrowing warning on 32-bit architectures
|
commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix compile error for IBM VMX on ppc64
|
commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix SIMD detection on new AMD AVX CPUs w/o fma
|
commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix unit test segfaults with gcc-6.0
|
commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix incorrect return type for scalar version of simd...
|
commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Random engines & distributions as proper C++11 classes
|
commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Support for portable hardware locality (hwloc)
|
commit | commitdiff | tree |
| 2016-03-04 |
Erik Lindahl | Fix length of SIMD4 boolean vector in reference build
|
commit | commitdiff | tree |
| 2016-02-12 |
Erik Lindahl | Extended SIMD, implementation for AVX-512F/ER
|
commit | commitdiff | tree |
| 2016-02-10 |
Erik Lindahl | Scalar functions mimicking the SIMD interface
|
commit | commitdiff | tree |
| 2016-01-04 |
Erik Lindahl | Fix unnecessary SIMD warning
|
commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Extended SIMD, implementation for Intel MIC
|
commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Avoid using aligned member variables in SIMD tests
|
commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, implementation for IBM Power7/8 VSX
|
commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | IBM Power6 VMX extended SIMD
|
commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, impl for Arm Neon and 64-bit Neon Asimd
|
commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD, implementation for BlueGene/Q
|
commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD implementation for 256-bit AVX and AVX2
|
commit | commitdiff | tree |
| 2015-12-20 |
Erik Lindahl | Next-generation SIMD, for SSE2, SSE4.1 and 128-bit AVX
|
commit | commitdiff | tree |
| 2015-12-19 |
Erik Lindahl | Fix compiler warning in cpuinfo for non-x86 architectures
|
commit | commitdiff | tree |
| 2015-12-16 |
Erik Lindahl | Next-generation SIMD module, reference implementation
|
commit | commitdiff | tree |
| 2015-12-15 |
Erik Lindahl | C++ math function cleanup
|
commit | commitdiff | tree |
| 2015-12-01 |
Erik Lindahl | Fixed null-dereferencing bug in vsites
|
commit | commitdiff | tree |
| 2015-11-30 |
Erik Lindahl | C++ classes for cpuid and hardware topology
|
commit | commitdiff | tree |
| 2015-11-16 |
Erik Lindahl | Remove unused code detected by PGI compiler
|
commit | commitdiff | tree |
| 2015-11-05 |
Erik Lindahl | Avoid __vectorcall with clang for reference build
|
commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Enable 64-bit cycle counters on ARMV7a
|
commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Split SIMD implementations into 4 files
|
commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Moved GMX_SIMD_* macros from ifdefs to values 0/1
|
commit | commitdiff | tree |
| 2015-10-30 |
Erik Lindahl | Break dependence of group kernels on simd module
|
commit | commitdiff | tree |
| 2015-10-23 |
Erik Lindahl | Added AlignedAllocator class
|
commit | commitdiff | tree |
| 2015-10-22 |
Erik Lindahl | Merge "Merge release-5-0 into release-5-1" into release-5-1
|
commit | commitdiff | tree |
| 2015-10-14 |
Erik Lindahl | Another quote from Economist today
|
commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Replace GROMACS-specific math functions with C++11...
|
commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Moved nonbonded sources to C++
|
commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Moved last nbnxn_kernel sources to C++
|
commit | commitdiff | tree |
| 2015-10-05 |
Erik Lindahl | Added try/catch statements in OpenMP regions and tMPI...
|
commit | commitdiff | tree |
| 2015-09-27 |
Erik Lindahl | Fix unused variable warnings for gcc-4.6.4
|
commit | commitdiff | tree |
| 2015-09-22 |
Erik Lindahl | Convert nbnxn search,grid,atomdata to C++
|
commit | commitdiff | tree |
| 2015-09-07 |
Erik Lindahl | Moved linear algebra sources to C++
|
commit | commitdiff | tree |
| 2015-08-29 |
Erik Lindahl | Fix FP exception in reference build
|
commit | commitdiff | tree |
| 2015-08-12 |
Erik Lindahl | Prevent AMD OpenCL on OS X prior to 10.10.4
|
commit | commitdiff | tree |
| 2015-08-11 |
Erik Lindahl | Fix for processors being offline on Arm
|
commit | commitdiff | tree |
| 2015-08-06 |
Erik Lindahl | Avoid using C++11-specific data() of std::vector
|
commit | commitdiff | tree |
| 2015-08-05 |
Erik Lindahl | Fix PGI compiler flag
|
commit | commitdiff | tree |
| 2015-07-29 |
Erik Lindahl | Moved another bunch of mdlib utils to C++
|
commit | commitdiff | tree |
