Commits · v2016-beta1 · googyer / GROMACS

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May 12, 2016
- GROMACS 2016 beta1 release · 7f0b47d0
  Mark Abraham authored May 10, 2016
  View commits for tag v2016-beta1 v2016-beta1
  7f0b47d0
- Remove static function qualifier in OpenCL kernel utils · 10913823
  Vedran Miletić authored May 11, 2016 and Mark Abraham committed May 12, 2016
  10913823
May 11, 2016
- Use STRLEN for buf · 51d0c257
  James W. Barnett authored May 11, 2016
  51d0c257
May 10, 2016
- Additional Jenkins documentation · e7e35d31
  Teemu Murtola authored Apr 30, 2016 and Mark Abraham committed May 10, 2016
  e7e35d31
- Bump clang static analyzer to version 3.8 · 745e3d0b
  Mark Abraham authored Mar 30, 2016
  745e3d0b
- Include releng documentation to developer guide · cb37bbb4
  Teemu Murtola authored Oct 03, 2015 and Mark Abraham committed May 10, 2016
  cb37bbb4
- Fix precision loss in tabulated normal distribution · d44d7d6b
  Erik Lindahl authored May 08, 2016 and Mark Abraham committed May 10, 2016
  d44d7d6b
- Facilitate linking with libcxx · 4ce2aa50
  Mark Abraham authored Mar 30, 2016
  4ce2aa50
- Flush streams when not writing newline character · 85d59d17
  Erik Lindahl authored May 08, 2016 and Mark Abraham committed May 10, 2016
  85d59d17
- Optimized the vsite threading · b7e4f30d
  Berk Hess authored Oct 22, 2015 and Mark Abraham committed May 10, 2016
  b7e4f30d
- Fix CUDA shmem bug · d5016710
  Berk Hess authored May 09, 2016 and Szilárd Páll committed May 10, 2016
  d5016710
- Add OpenMP for functions limiting scaling · 6d98622d
  Roland Schulz authored Dec 06, 2014 and Mark Abraham committed May 10, 2016
  6d98622d
- Support cmap with QMMM · b500f158
  Berk Hess authored Apr 18, 2016 and Gerrit Groenhof committed May 10, 2016
  b500f158
May 09, 2016
- Improved description for GPU/CPU time ratio · f8a70903
  Erik Lindahl authored May 08, 2016 and Berk Hess committed May 09, 2016
  f8a70903
May 08, 2016
- Fixes for clang 3.7 on PowerPC · 1b3be691
  Mark Abraham authored Mar 18, 2016
  1b3be691
- Correct and clarify output units for fluct_props · 8547f662
  James W. Barnett authored May 05, 2016 and Mark Abraham committed May 08, 2016
  8547f662
- Fix Luzar/Chander literature reference in g_hbond · de8850ec
  Erik Lindahl authored Apr 03, 2016 and Mark Abraham committed May 08, 2016
  de8850ec
- Modify lmfit library to avoid clashes with other versions. · c6cfc2c0
  David van der Spoel authored Dec 09, 2015 and Mark Abraham committed May 08, 2016
  c6cfc2c0
- Update mdrun termination info · 54733837
  Berk Hess authored Mar 16, 2016 and Erik Lindahl committed May 08, 2016
  54733837
- Support for OpenCL CI builds · d696fd92
  Teemu Murtola authored Mar 14, 2016
  d696fd92
May 06, 2016
- OpenMP parallelization for pull · a975d0c0
  Berk Hess authored Apr 14, 2016 and Szilárd Páll committed May 06, 2016
  a975d0c0
May 05, 2016
- Merge branch release-5-1 · 4f964e35
  Teemu Murtola authored May 05, 2016
  4f964e35
- Make Sphinx build silent for version 1.3+ · 7f6a6de5
  Teemu Murtola authored May 05, 2016
  7f6a6de5
- Remove CUDA host compiler consistency checks · 770f143a
  Szilárd Páll authored Apr 04, 2016
  770f143a
- Fix SIMD detection on AMD AVX CPUs w/o fma (master) · dd8f72ac
  Erik Lindahl authored Apr 03, 2016
  dd8f72ac
- Avoid allocating heap memory for tabulated distribution · 8fe117ea
  Erik Lindahl authored Apr 03, 2016
  8fe117ea
May 03, 2016
- Mark optional input/output files in gmx order · 9f4f3141
  Teemu Murtola authored May 03, 2016
  9f4f3141
Apr 28, 2016
- Merge "Merge branch release-5-1" · 3541fe4c
  Roland Schulz authored Apr 28, 2016
  
  3541fe4c
- Use HardwareTopology to set nthreads_hw_avail · 9af411e4
  Teemu Murtola authored Apr 26, 2016 and Mark Abraham committed Apr 28, 2016
  9af411e4
- Remove gmx_hw_info_t::ncore · 840c5e71
  Teemu Murtola authored Apr 26, 2016 and Mark Abraham committed Apr 28, 2016
  840c5e71
- Workaround for gcc false positive warning · fc1d4043
  Szilárd Páll authored Apr 27, 2016 and Mark Abraham committed Apr 28, 2016
  fc1d4043
Apr 27, 2016
- Improve release workflow testing · 505215ce
  Teemu Murtola authored Apr 24, 2016 and Mark Abraham committed Apr 28, 2016
  505215ce
- Disable multiple ranks for non-MPI unit tests · c8047a4b
  Teemu Murtola authored Aug 22, 2015 and Mark Abraham committed Apr 28, 2016
  c8047a4b
- Merge branch release-5-1 · 5b91e1c8
  Mark Abraham authored Apr 27, 2016
  5b91e1c8
- Fix multiple MPI ranks per node with OpenCL · 8a8904ad
  Szilárd Páll authored Apr 04, 2016 and Mark Abraham committed Apr 27, 2016
  8a8904ad
- Fix issues with failing thread affinity setting · 420fb6f9
  Teemu Murtola authored Apr 21, 2016 and Mark Abraham committed Apr 27, 2016
  420fb6f9
- Merge "Merge branch release-5-1" · f2efa3d1
  Teemu Murtola authored Apr 27, 2016
  
  f2efa3d1
Apr 26, 2016
- Disable CUDA profiler when using OpenCL · f7a1ddfc
  Vedran Miletić authored Apr 25, 2016 and Szilárd Páll committed Apr 27, 2016
  f7a1ddfc
- Fix OpenCL assertion · fe7ae8f5
  Szilárd Páll authored Apr 26, 2016
  fe7ae8f5
- Fix numerically unstable Gaussian test · d158578d
  Roland Schulz authored Apr 19, 2016
  d158578d