Commits · v2018-rc1 · googyer / GROMACS

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Dec 26, 2017
- Fix quote · 32b6a032
  Roland Schulz authored Dec 26, 2017
  View commits for tag v2018-rc1 v2018-rc1
  32b6a032
- Fix builds on ARM & clarify (ARM) GPU support · cf2ece91
  Erik Lindahl authored Dec 12, 2017 and Mark Abraham committed Dec 26, 2017
  cf2ece91
Dec 22, 2017
- Merge branch release-2016 into release-2018 · 001eac8e
  Mark Abraham authored Dec 23, 2017
  001eac8e
Dec 21, 2017
- Merge branch release-5-1 into release-2016 · c79758f1
  Mark Abraham authored Dec 22, 2017
  c79758f1
- Bump minor version for theoretical new release · 432fcab8
  Mark Abraham authored Dec 22, 2017
  432fcab8
- Documentation and fixes for physical validation · 05a53d08
  Pascal Merz authored Dec 14, 2017 and Mark Abraham committed Dec 21, 2017
  05a53d08
- Update double-precision test configurations · 80dd3f5b
  Mark Abraham authored Dec 07, 2017
  80dd3f5b
- Version 5.1.5 · 079db266
  Mark Abraham authored Dec 21, 2017 and Aleksei Iupinov committed Dec 21, 2017
  View commits for tag v5.1.5 v5.1.5
  079db266
- Update checks for BuildOwnFFT · e703dde1
  Roland Schulz authored Dec 20, 2017 and Mark Abraham committed Dec 21, 2017
  e703dde1
Dec 20, 2017
- Set GMX_GPU_AUTO to FALSE with GMX_GPU defined · 6f7d2e9a
  Aleksei Iupinov authored Dec 20, 2017
  6f7d2e9a
- Use new defaultRealTolerance() to stabilise some tests · 34b31894
  Mark Abraham authored Dec 20, 2017
  34b31894
- Merge "Merge branch release-2016 into release-2018" into release-2018 · 85044d8b
  Mark Abraham authored Dec 20, 2017
  
  85044d8b
- Merge branch release-2016 into release-2018 · bb1ff722
  Mark Abraham authored Dec 20, 2017
  bb1ff722
- Remove potentially wrong "per user request" note from npme reporting · 66a29b6a
  Aleksei Iupinov authored Dec 19, 2017 and Erik Lindahl committed Dec 20, 2017
  66a29b6a
Dec 19, 2017
- Make acceleration correction VCM mode work · 62e43da8
  Berk Hess authored Dec 19, 2017
  62e43da8
- Third beta release of 2018 · 72aa8a99
  Mark Abraham authored Dec 19, 2017
  View commits for tag v2018-beta3 v2018-beta3
  72aa8a99
- Fix table tests and improve table construction · 68113c4e
  Mark Abraham authored Dec 11, 2017
  68113c4e
- Make oversubscription warning consistent · 7607e626
  Berk Hess authored Dec 15, 2017 and Mark Abraham committed Dec 19, 2017
  7607e626
- Fix electric field .mdp documentation · c1326cd3
  Carsten authored Dec 18, 2017 and Mark Abraham committed Dec 19, 2017
  c1326cd3
- Use reduced default tolerances for tpx comparison · fc0b6a72
  Erik Lindahl authored Dec 17, 2017 and Mark Abraham committed Dec 19, 2017
  fc0b6a72
Dec 18, 2017
- Fix cmake error with emacs lock files in place · f9978da6
  Roland Schulz authored Dec 14, 2017 and Mark Abraham committed Dec 18, 2017
  f9978da6
Dec 17, 2017
- Fix typo introduced in b1b1163a · cb441717
  Roland Schulz authored Dec 17, 2017
  cb441717
- Change avx_128_fma build to double · 3b9608a5
  Roland Schulz authored Dec 14, 2017 and Mark Abraham committed Dec 17, 2017
  3b9608a5
- Support Simd4N for SimdRealWidth<4 · 868b62c1
  Roland Schulz authored Dec 11, 2017 and Mark Abraham committed Dec 17, 2017
  868b62c1
Dec 15, 2017
- Remove incorrect/misleading OpenMP message · 80f542ec
  Roland Schulz authored Dec 14, 2017 and Erik Lindahl committed Dec 15, 2017
  80f542ec
- Revert "Use table Ewald for Skylake" · 7927f23d
  Roland Schulz authored Dec 14, 2017 and Erik Lindahl committed Dec 15, 2017
  7927f23d
- Make OpenCL implementation of gpu_utils tests conform · 1c3c367a
  Mark Abraham authored Dec 14, 2017 and Erik Lindahl committed Dec 15, 2017
  1c3c367a
Dec 14, 2017
- Avoid confusing message at end of non-dynamical runs · 8f179303
  Mark Abraham authored Dec 12, 2017 and Erik Lindahl committed Dec 14, 2017
  8f179303
- Fix return values of frame-reading functions · c67aef95
  Mark Abraham authored Dec 14, 2017 and Erik Lindahl committed Dec 14, 2017
  c67aef95
- Require -ntmpi with setting -ntomp with GPUs · f10d33f1
  Berk Hess authored Dec 12, 2017
  f10d33f1
- Make AVX-512 CMake detction work · 5c453f8c
  Mark Abraham authored Dec 12, 2017 and Erik Lindahl committed Dec 14, 2017
  5c453f8c
- Remove PBC before generating TPR with group scheme · 930725b2
  Paul Bauer authored Dec 11, 2017 and Erik Lindahl committed Dec 14, 2017
  930725b2
- Simplify CMAP loop · 9a7f070d
  Roland Schulz authored Dec 13, 2017 and Erik Lindahl committed Dec 14, 2017
  9a7f070d
- Work around AVX-512 issues in gcc-5.4 and 7.1 · 22213935
  Erik Lindahl authored Dec 12, 2017 and Erik Lindahl committed Dec 14, 2017
  22213935
- Fix PBC error in gmx_spatial · a464aad0
  Erik Lindahl authored Dec 12, 2017 and Mark Abraham committed Dec 14, 2017
  a464aad0
- Merge "Merge branch release-2016 into release-2018" into release-2018 · 3493fb39
  Mark Abraham authored Dec 14, 2017
  
  3493fb39
Dec 12, 2017
- Documented power spectrum to gmx velacc · 6c014855
  Erik Lindahl authored Dec 12, 2017
  6c014855
- Add work-around for ICC 18.0/.1 · b1b1163a
  Roland Schulz authored Dec 12, 2017
  b1b1163a
- Require TPR file for gmx cluster · f6e66d9b
  Erik Lindahl authored Dec 12, 2017 and Roland Schulz committed Dec 12, 2017
  f6e66d9b
- Disallow ascii formats for gmx trjcat · c232242c
  Erik Lindahl authored Dec 12, 2017 and Mark Abraham committed Dec 12, 2017
  c232242c