Commits · v5.0.2 · jooooow / GROMACS

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Oct 01, 2014
- Version 5.0.2 · 7db8f7b6
  Mark Abraham authored Oct 01, 2014
  View commits for tag v5.0.2 v5.0.2
  7db8f7b6
- Allow gmx tune_pme to skip the check for command-line health · 63d4cab9
  Carsten authored Sep 30, 2014 and Mark Abraham committed Oct 01, 2014
  63d4cab9
Sep 30, 2014
- Fix incorrect LJ cut-off with GPU + PME tuning · 8e974b0e
  Szilard Pall authored Sep 26, 2014
  8e974b0e
- Avoid DLB with overloaded PME ranks · 95b9f146
  Berk Hess authored Sep 05, 2014
  95b9f146
- Added GPU local wait to load balancing · 4fdcbf77
  Berk Hess authored Sep 11, 2014
  4fdcbf77
- Avoid using function calls in OpenMP directives · 62518a2c
  Erik Lindahl authored Aug 12, 2014
  62518a2c
Sep 29, 2014
- Domain decomposition now checks the rlist buffer · 971191d8
  Berk Hess authored Sep 29, 2014
  971191d8
- Clarify GCC+Win+AVX warning · 19e9ef9b
  Roland Schulz authored Sep 20, 2014
  19e9ef9b
- SIMD acceleration for RB dihedrals · ae4be041
  Berk Hess authored Sep 25, 2014
  ae4be041
- Merge "Merge release-4-6 into release-5-0" into release-5-0 · 4e26aee5
  Mark Abraham authored Sep 29, 2014
  
  4e26aee5
- Avoid PME tuning decreasing rcoulomb · d3e2d78f
  Berk Hess authored Sep 26, 2014
  d3e2d78f
- Merge release-4-6 into release-5-0 · 3cf05dfc
  Roland Schulz authored Sep 29, 2014
  3cf05dfc
- Fix calc_grid avoiding PME grid factor 84 · b7bcff77
  Berk Hess authored Sep 26, 2014
  b7bcff77
Sep 26, 2014
- Fix incorrect assertion statement · 0f1df108
  Szilárd Páll authored Sep 26, 2014
  0f1df108
Sep 23, 2014
- Fixes potential bug in neighborsearching. · 3acec944
  David van der Spoel authored Sep 22, 2014
  3acec944
Sep 22, 2014
- Fix message about incorrect usage of dihedral type 9 · 6c458124
  Roland Schulz authored Sep 22, 2014
  6c458124
Sep 20, 2014
- Fix RelWithDebInfo name bugs, and use full optimization. · 79cdf779
  Erik Lindahl authored Sep 20, 2014
  79cdf779
Sep 18, 2014
- Merge branch release-4-6 into release-5-0 · 28bb38b9
  Mark Abraham authored Sep 18, 2014
  28bb38b9
- Fix double linkage for tests · 82fdaa94
  Roland Schulz authored Sep 15, 2014
  82fdaa94
Sep 17, 2014
- Add missing quotes · 2c28d95e
  Roland Schulz authored Sep 05, 2014
  2c28d95e
- Fix shared libs for Mingw · d28a7507
  Roland Schulz authored Sep 05, 2014
  d28a7507
- Remove no-inline-max-size and suppress remark · b13c96f5
  Roland Schulz authored Sep 17, 2014
  b13c96f5
- Valgrind suppression for OS X 10.9 · 1857e1a5
  Roland Schulz authored Sep 16, 2014 and Roland Schulz committed Sep 17, 2014
  1857e1a5
Sep 16, 2014
- Fix warnings for ICC 15 · d28edf2a
  Roland Schulz authored Sep 10, 2014
  d28edf2a
Sep 11, 2014
- Remove documentation references to optimize-fft · 4acad365
  Mark Abraham authored Sep 11, 2014
  4acad365
- Enable static anon namespace workaround on pathscale · e87f8933
  Erik Lindahl authored Sep 07, 2014
  e87f8933
Sep 09, 2014
- Fix malformed CUDA version macro check · 89fae8d6
  Szilárd Páll authored Sep 09, 2014
  89fae8d6
- Fixed DD state collection issue · c8ce978a
  Berk Hess authored Sep 09, 2014
  c8ce978a
Sep 08, 2014
- Check for implicit solvent + Verlet scheme · 92a2eb1a
  Berk Hess authored Sep 08, 2014
  92a2eb1a
Sep 05, 2014
- Fix build for external boost 1.56.0 · f878c887
  Roland Schulz authored Sep 05, 2014
  f878c887
- Version bumps after new release · 5c0d3179
  Mark Abraham authored Sep 05, 2014
  5c0d3179
- Version 5.0.1 · 2156b191
  Mark Abraham authored Sep 05, 2014
  View commits for tag v5.0.1 v5.0.1
  2156b191
Sep 04, 2014
- Add Mingw warnings · 2fc88eb9
  Roland Schulz authored Sep 03, 2014
  2fc88eb9
- K-computer specific modifications · e6aefab2
  Erik Lindahl authored Jul 30, 2014
  e6aefab2
- cmake: missing quote · a90ae4c9
  Christoph Junghans authored Sep 03, 2014
  a90ae4c9
Sep 03, 2014
- Fix MingW build · e8cba2b9
  Roland Schulz authored Aug 31, 2014
  e8cba2b9
- Fixed sc_power==48 crash in single precision · 412e2974
  Erik Lindahl authored Sep 02, 2014
  412e2974
- Fix mis-use of fabs in LAPACK · 0ab6c668
  Mark Abraham authored Aug 20, 2014
  0ab6c668
- More hacking to get the template to detect and build · b0f65ea0
  Mark Abraham authored Sep 02, 2014
  b0f65ea0
- Fix that TNG tests were not run · af78f4c5
  Roland Schulz authored Aug 28, 2014
  af78f4c5