| 2018-06-06 |
Erik Lindahl | Use default CMake path variables
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commit | commitdiff | tree |
| 2018-06-06 |
Erik Lindahl | Bump GMX_BUILD_OWN_FFTW to 3.3.8 to avoid bugs
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commit | commitdiff | tree |
| 2018-01-10 |
Erik Lindahl | Improve pdb2gmx for nonstandard residue types
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commit | commitdiff | tree |
| 2018-01-10 |
Erik Lindahl | Clarified gmx rmsf documentation
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commit | commitdiff | tree |
| 2018-01-05 |
Erik Lindahl | Test that nvcc/host compiler combo works
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commit | commitdiff | tree |
| 2018-01-05 |
Erik Lindahl | Make TNG writing work with multiple identical steps
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commit | commitdiff | tree |
| 2018-01-05 |
Erik Lindahl | Add AVX_512 and KNC symbols to FFTW SIMD test
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commit | commitdiff | tree |
| 2018-01-04 |
Erik Lindahl | Improve frame time/step handling in trjconv
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commit | commitdiff | tree |
| 2018-01-04 |
Erik Lindahl | Implement changes for CMake policy 0068
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Fix trjconv for tdump<frame timestep
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Fix index error in gmx chi
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Fix complexity for large exclusion orders
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Don't allow multiple energy groups for GPU runs
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Remove duplications in GMXLIB search paths
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commit | commitdiff | tree |
| 2018-01-03 |
Erik Lindahl | Avoid FTZ triggering simd test failures
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Document required position restraint files
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Allow empty lines in hdb files
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Fix OpenCL compiles on Mac OS
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Improve manual from comments by Gang Liu
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Make it explicit that time units apply to begin/end...
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Don't require matching names between rtp and tdb files
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commit | commitdiff | tree |
| 2018-01-02 |
Erik Lindahl | Don't write reference pull group 0 to log
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commit | commitdiff | tree |
| 2018-01-01 |
Erik Lindahl | Fix gmx density for non-mass calculations
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commit | commitdiff | tree |
| 2018-01-01 |
Erik Lindahl | Clarify XTC error message
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commit | commitdiff | tree |
| 2017-12-26 |
Erik Lindahl | Fix builds on ARM & clarify (ARM) GPU support
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commit | commitdiff | tree |
| 2017-12-19 |
Erik Lindahl | Use reduced default tolerances for tpx comparison
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commit | commitdiff | tree |
| 2017-12-14 |
Erik Lindahl | Work around AVX-512 issues in gcc-5.4 and 7.1
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commit | commitdiff | tree |
| 2017-12-14 |
Erik Lindahl | Fix PBC error in gmx_spatial
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commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Documented power spectrum to gmx velacc
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commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Require TPR file for gmx cluster
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commit | commitdiff | tree |
| 2017-12-12 |
Erik Lindahl | Disallow ascii formats for gmx trjcat
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commit | commitdiff | tree |
| 2017-12-11 |
Erik Lindahl | Remove duplicated lines from OPLS ffbonded.itp
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commit | commitdiff | tree |
| 2017-12-11 |
Erik Lindahl | Don't warn about NVML clocks that are at max
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commit | commitdiff | tree |
| 2017-12-10 |
Erik Lindahl | Revert "Disable default-on NVML support in CMake"
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commit | commitdiff | tree |
| 2017-12-07 |
Erik Lindahl | Added cool quote from Viveca's defense
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commit | commitdiff | tree |
| 2017-12-04 |
Erik Lindahl | Fix compilation issues for AVX-512
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commit | commitdiff | tree |
| 2017-11-28 |
Erik Lindahl | Fix AVX-512 SIMD test for C
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commit | commitdiff | tree |
| 2017-11-28 |
Erik Lindahl | Improve status messages for SIMD checks
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commit | commitdiff | tree |
| 2017-11-27 |
Erik Lindahl | Test more AVX-512F instructions before enabling support
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commit | commitdiff | tree |
| 2017-11-24 |
Erik Lindahl | Detect AVX-512 FMA units to choose best SIMD
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commit | commitdiff | tree |
| 2017-11-21 |
Erik Lindahl | Separate SIMD flag detection from management
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commit | commitdiff | tree |
| 2017-11-12 |
Erik Lindahl | Only issue FFT warning messages on changes
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commit | commitdiff | tree |
| 2017-09-12 |
Erik Lindahl | Improve accuracy of SIMD exp for small args
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commit | commitdiff | tree |
| 2017-09-04 |
Erik Lindahl | More SIMD math argument checking, added unsafe options
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commit | commitdiff | tree |
| 2017-08-28 |
Erik Lindahl | Improved SIMD test data to use all bits
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commit | commitdiff | tree |
| 2017-06-26 |
Erik Lindahl | Fix ARM NEON simd debug builds
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commit | commitdiff | tree |
| 2017-06-13 |
Erik Lindahl | More quotes
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commit | commitdiff | tree |
| 2017-05-23 |
Erik Lindahl | Updated cool quotes
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commit | commitdiff | tree |
| 2017-04-17 |
Erik Lindahl | Fixed AVX-512F compiler flags
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commit | commitdiff | tree |
| 2017-03-19 |
Erik Lindahl | Use OpenMP up to 16 threads with AMD Ryzen
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commit | commitdiff | tree |
| 2017-03-19 |
Erik Lindahl | 128-bit AVX2 SIMD for AMD Ryzen
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commit | commitdiff | tree |
| 2017-03-14 |
Erik Lindahl | Fix gcc compiles of AVX-512 SIMD
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commit | commitdiff | tree |
| 2017-02-09 |
Erik Lindahl | Work around false xlc-13.1.5 bug in SIMD test
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commit | commitdiff | tree |
| 2016-10-17 |
Erik Lindahl | New classes for spline interpolation tables
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commit | commitdiff | tree |
| 2016-09-07 |
Erik Lindahl | Bump oldest cmake, compiler and CUDA versions required
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commit | commitdiff | tree |
| 2016-08-05 |
Erik Lindahl | Fix proper relative tolerance checking in testutils
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commit | commitdiff | tree |
| 2016-07-11 |
Erik Lindahl | Fix membed with partial revert of 29943f
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commit | commitdiff | tree |
| 2016-07-09 |
Erik Lindahl | Hardware detection clean-up and pre/post-processing
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commit | commitdiff | tree |
| 2016-07-09 |
Erik Lindahl | Prevent fragile use cases of checkpoint appending
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commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Update affinity checking for Intel compiler
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commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Add detection for ARMv7 cycle counter support
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commit | commitdiff | tree |
| 2016-07-08 |
Erik Lindahl | Work around compiler issue with random test
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commit | commitdiff | tree |
| 2016-07-07 |
Erik Lindahl | Reduce hwloc & cpuid test requirements
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commit | commitdiff | tree |
| 2016-06-08 |
Erik Lindahl | Disable static libcudart on OS X
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commit | commitdiff | tree |
| 2016-06-04 |
Erik Lindahl | Check number of items read in mdp statements
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commit | commitdiff | tree |
| 2016-05-27 |
Erik Lindahl | Detect the usage of hwtop XML caching
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commit | commitdiff | tree |
| 2016-05-21 |
Erik Lindahl | Disable automated FFTW3 builds on Windows
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commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Fixed large file issue on 32-bit platforms
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commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Fix precision loss in tabulated normal distribution
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commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Flush streams when not writing newline character
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commit | commitdiff | tree |
| 2016-05-09 |
Erik Lindahl | Improved description for GPU/CPU time ratio
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commit | commitdiff | tree |
| 2016-05-08 |
Erik Lindahl | Fix Luzar/Chander literature reference in g_hbond
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commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Fix SIMD detection on AMD AVX CPUs w/o fma (master)
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commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Avoid allocating heap memory for tabulated distribution
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix hwloc narrowing warning on 32-bit architectures
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix compile error for IBM VMX on ppc64
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix SIMD detection on new AMD AVX CPUs w/o fma
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commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix unit test segfaults with gcc-6.0
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commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix incorrect return type for scalar version of simd...
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commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Random engines & distributions as proper C++11 classes
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commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Support for portable hardware locality (hwloc)
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commit | commitdiff | tree |
| 2016-03-04 |
Erik Lindahl | Fix length of SIMD4 boolean vector in reference build
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commit | commitdiff | tree |
| 2016-02-12 |
Erik Lindahl | Extended SIMD, implementation for AVX-512F/ER
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commit | commitdiff | tree |
| 2016-02-10 |
Erik Lindahl | Scalar functions mimicking the SIMD interface
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commit | commitdiff | tree |
| 2016-01-04 |
Erik Lindahl | Fix unnecessary SIMD warning
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commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Extended SIMD, implementation for Intel MIC
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commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Avoid using aligned member variables in SIMD tests
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, implementation for IBM Power7/8 VSX
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | IBM Power6 VMX extended SIMD
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, impl for Arm Neon and 64-bit Neon Asimd
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commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD, implementation for BlueGene/Q
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commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD implementation for 256-bit AVX and AVX2
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commit | commitdiff | tree |
| 2015-12-20 |
Erik Lindahl | Next-generation SIMD, for SSE2, SSE4.1 and 128-bit AVX
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commit | commitdiff | tree |
| 2015-12-19 |
Erik Lindahl | Fix compiler warning in cpuinfo for non-x86 architectures
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commit | commitdiff | tree |
| 2015-12-16 |
Erik Lindahl | Next-generation SIMD module, reference implementation
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commit | commitdiff | tree |
| 2015-12-15 |
Erik Lindahl | C++ math function cleanup
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commit | commitdiff | tree |
| 2015-12-01 |
Erik Lindahl | Fixed null-dereferencing bug in vsites
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commit | commitdiff | tree |
| 2015-11-30 |
Erik Lindahl | C++ classes for cpuid and hardware topology
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commit | commitdiff | tree |
| 2015-11-16 |
Erik Lindahl | Remove unused code detected by PGI compiler
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commit | commitdiff | tree |
| 2015-11-05 |
Erik Lindahl | Avoid __vectorcall with clang for reference build
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commit | commitdiff | tree |
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