Commits · v2016-rc1 · evetsso / GROMACS

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Jul 11, 2016
- Fix regressiontest download md5sum · b78ab26b
  Mark Abraham authored Jul 11, 2016
  View commits for tag v2016-rc1 v2016-rc1
  b78ab26b
Jul 09, 2016
- First 2016 release candidate · 32031867
  Mark Abraham authored Jun 23, 2016
  32031867
- Hardware detection clean-up and pre/post-processing · 6d99d7ea
  Erik Lindahl authored Jul 07, 2016 and Mark Abraham committed Jul 09, 2016
  6d99d7ea
- Prevent fragile use cases of checkpoint appending · 07d12095
  Erik Lindahl authored May 25, 2016
  07d12095
Jul 08, 2016
- Update affinity checking for Intel compiler · 14ed2ccd
  Erik Lindahl authored Jul 07, 2016 and Erik Lindahl committed Jul 08, 2016
  14ed2ccd
- Print working dir before command line · 1726c626
  Vedran Miletić authored Jul 06, 2016 and David van der Spoel committed Jul 08, 2016
  1726c626
- Merge "Merge branch release-5-1 into release-2016" into release-2016 · 156562e0
  David van der Spoel authored Jul 08, 2016
  
  156562e0
- Updated g_wham for the new pull setup · 9aef7701
  Jochen Hub authored Dec 11, 2014 and Mark Abraham committed Jul 08, 2016
  9aef7701
- Merge branch release-5-1 into release-2016 · 61227458
  Mark Abraham authored Jul 08, 2016
  61227458
- Introduce fatal error for too few frames in gmx dos. · 2a1052e2
  David van der Spoel authored Jul 08, 2016 and Mark Abraham committed Jul 08, 2016
  2a1052e2
- Simplify SIMD compiler flag construction · deef4d6e
  Mark Abraham authored May 25, 2016
  deef4d6e
- Add detection for ARMv7 cycle counter support · 0d4ea603
  Erik Lindahl authored Jul 07, 2016 and Mark Abraham committed Jul 08, 2016
  0d4ea603
- Work around compiler issue with random test · fa1d62c6
  Erik Lindahl authored Jul 08, 2016
  fa1d62c6
- Add PDF metadata to the manual · 55c3a19d
  Szilárd Páll authored Apr 01, 2016 and Erik Lindahl committed Jul 08, 2016
  55c3a19d
- User guide clarifications · a041267f
  Szilárd Páll authored Jul 05, 2016 and David van der Spoel committed Jul 08, 2016
  a041267f
Jul 07, 2016
- Reduce hwloc & cpuid test requirements · 0a7428cf
  Erik Lindahl authored Jul 05, 2016 and Erik Lindahl committed Jul 08, 2016
  0a7428cf
- Move consistency check for number of threads · 13d0bbcf
  Mark Abraham authored Jul 04, 2016
  13d0bbcf
- Change handling for missing releng docs · fef65292
  Teemu Murtola authored Jul 06, 2016 and Erik Lindahl committed Jul 07, 2016
  fef65292
- Add user guide info on CUDA application clocks · 72ed575f
  Szilárd Páll authored Jul 05, 2016 and Erik Lindahl committed Jul 07, 2016
  72ed575f
- Fix build if libcuda is found but nvcc is not · 92ab334f
  Mark Abraham authored Jul 04, 2016 and Erik Lindahl committed Jul 07, 2016
  92ab334f
- Relax pull PBC check · 3dfdadb8
  Berk Hess authored Jun 21, 2016 and David van der Spoel committed Jul 07, 2016
  3dfdadb8
Jul 05, 2016
- Document GMX_GPU_APPLICATION_CLOCKS · a42e9487
  Szilárd Páll authored Jul 05, 2016
  a42e9487
- Add checks for too much memory in g_nmeig · dd45357a
  Berk Hess authored Jul 05, 2016
  dd45357a
Jul 04, 2016
- Fixes for Power7 big-endian · 49b323e3
  Mark Abraham authored Jun 27, 2016
  49b323e3
- Disable NVIDIA JIT cache with OpenCL · 6556d8f4
  Szilárd Páll authored Jun 27, 2016 and Mark Abraham committed Jul 04, 2016
  6556d8f4
Jul 03, 2016
- Add grompp check for pull group · b17a4160
  Berk Hess authored Jul 01, 2016 and David van der Spoel committed Jul 03, 2016
  b17a4160
Jul 01, 2016
- Fix use of _POSIX_THREAD* · 6d850e72
  Mark Abraham authored Jun 01, 2016
  6d850e72
Jun 30, 2016
- Merge branch release-5-1 into release-2016 · ed8d537d
  Mark Abraham authored Jun 29, 2016
  ed8d537d
Jun 29, 2016
- Refactor sysconf checking · 6deda019
  Mark Abraham authored Jun 29, 2016
  6deda019
- Work around glibc 2.23 with CUDA · e2cd2e2e
  Mark Abraham authored Jun 27, 2016
  e2cd2e2e
Jun 28, 2016
- Properly reset CUDA application clocks · ddc42de5
  Berk Hess authored Jun 17, 2016 and Mark Abraham committed Jun 28, 2016
  ddc42de5
- Update to include a gcc 6.1 configuration · b6f57fcd
  Mark Abraham authored Jun 23, 2016
  b6f57fcd
- Fix SIMD configuration management · 8d223faa
  Mark Abraham authored May 25, 2016
  8d223faa
Jun 27, 2016
- Removed unnecessary inter-simulation signalling · d5bd278b
  Mark Abraham authored Nov 25, 2014
  d5bd278b
- Use sysconf(_SC_NPROCESSORS_ONLN) · f16daabd
  Berk Hess authored Jun 15, 2016 and Mark Abraham committed Jun 27, 2016
  f16daabd
- Merge branch release-5-1 into release-2016 · 628f3b1c
  Mark Abraham authored Jun 27, 2016
  628f3b1c
- Made gmx dos work again. · e65c43da
  David van der Spoel authored Jun 27, 2016
  e65c43da
Jun 26, 2016
- Fix vsite bug with MPI+OpenMP · 0e31b39c
  Berk Hess authored Jun 01, 2016 and David van der Spoel committed Jun 26, 2016
  0e31b39c
Jun 24, 2016
- Fix Verlet buffer calculation with nstlist=1 · 1e968381
  Berk Hess authored Jun 23, 2016 and Mark Abraham committed Jun 24, 2016
  1e968381
Jun 23, 2016
- More accurate GPU list splitting · 27943d90
  Berk Hess authored Apr 05, 2016 and Mark Abraham committed Jun 23, 2016
  27943d90