Commits · v4.6-beta2 · jooooow / GROMACS · GitLab

Dec 06, 2012
- New beta release: 4.6-beta2 · 5e62f3fd
  Mark Abraham authored Dec 05, 2012
  View commits for tag v4.6-beta2 v4.6-beta2
  5e62f3fd
- Apply LGPL license to new files · 31c41387
  Mark Abraham authored Dec 05, 2012
  31c41387
- Updates for install guide · 17594340
  Mark Abraham authored Dec 05, 2012
  17594340
- Removing (inaccurate) virial temperature calc. · bcc2894b
  Michael Shirts authored Dec 01, 2012 and Mark Abraham committed Dec 06, 2012
  bcc2894b
- Re-enable AdResS feature · d80e0a2c
  Sebastian Fritsch authored Nov 22, 2012
  d80e0a2c
- removed last OpenMP O(nthreads) bottleneck · b7238a61
  Berk Hess authored Dec 01, 2012
  b7238a61
- Eliminate confusion from pkgconfig FFTW detection · 43a5d02e
  Mark Abraham authored Nov 30, 2012
  43a5d02e
Dec 05, 2012
- don't warn during configuring if no GPUs were found · 9294a8d2
  Szilard Pall authored Dec 05, 2012
  9294a8d2
- fixed obsolete gmx_fatal in OpenMM build · 054d40f2
  Christoph Junghans authored Nov 25, 2012 and Mark Abraham committed Dec 05, 2012
  054d40f2
- first step toward moving OpenMM support to contrib · 78695bd7
  Szilard Pall authored Nov 30, 2012
  78695bd7
- Merge "don't auto-set nvcc host compiler with cmake >2.8.9" into release-4-6 · 4bc7274b
  Mark Abraham authored Dec 05, 2012
  
  4bc7274b
- Merge "Keep FindCUDA quiet when it is not useful" into release-4-6 · 61858001
  Mark Abraham authored Dec 05, 2012
  
  61858001
- Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6 · a5797f94
  Mark Abraham authored Dec 05, 2012
  
  a5797f94
- Merge "Re-apply -dev version name between beta 1 and beta 2" into release-4-6 · 33250b1f
  Mark Abraham authored Dec 05, 2012
  
  33250b1f
- Merge "fixed segv in Verlet pair-search with trilinic DD" into release-4-6 · 0fbfeb23
  Roland Schulz authored Dec 05, 2012
  
  0fbfeb23
- Merge "Fixed labelling of g_hbond plots" into release-4-6 · c938ff84
  Mark Abraham authored Dec 05, 2012
  
  c938ff84
- Merge "fixed incorrect virial with virtual sites and OpenMP" into release-4-6 · a3ed9ae0
  Roland Schulz authored Dec 05, 2012
  
  a3ed9ae0
- Remove TEST_TMPI_ATOMICS_ONLY · d2b691b7
  Roland Schulz authored Nov 28, 2012
  d2b691b7
- Re-apply -dev version name between beta 1 and beta 2 · 0d581058
  Mark Abraham authored Nov 30, 2012
  0d581058
- fixed incorrect virial with virtual sites and OpenMP · 005b6a6f
  Berk Hess authored Dec 05, 2012
  005b6a6f
- Keep FindCUDA quiet when it is not useful · 99dda1c7
  Mark Abraham authored Dec 05, 2012
  99dda1c7
- fixed segv in Verlet pair-search with trilinic DD · dccb4e3a
  Berk Hess authored Dec 05, 2012
  dccb4e3a
- Fixed labelling of g_hbond plots · cb4a6904
  Erik Marklund authored Dec 05, 2012 and Mark Abraham committed Dec 05, 2012
  cb4a6904
- don't auto-set nvcc host compiler with cmake >2.8.9 · 9765be25
  Szilard Pall authored Dec 05, 2012
  9765be25
Nov 30, 2012
- fixed issue with -multi and GPUs · e5bb0b4e
  Berk Hess authored Nov 29, 2012
  e5bb0b4e
Nov 29, 2012
- Update copyright statements and change license to LGPL · e6cd064a
  Mark Abraham authored Nov 27, 2012
  View commits for tag v4.6-beta1 v4.6-beta1
  e6cd064a
- made errors during GPU detection non-fatal · 47e22c51
  Szilard Pall authored Nov 29, 2012
  47e22c51
- fix cmake re-running failure introduced by ef1127f1 · 7401379f
  Szilard Pall authored Nov 29, 2012
  7401379f
- Merge "Initial commit of new install guide" into release-4-6 · 92317fdb
  Mark Abraham authored Nov 29, 2012
  
  92317fdb
- Merge "Bump version to 4.6-beta1" into release-4-6 · 32b9ae3c
  Mark Abraham authored Nov 29, 2012
  
  32b9ae3c
- Initial commit of new install guide · 5e6fa759
  Mark Abraham authored Nov 20, 2012
  5e6fa759
- Bump version to 4.6-beta1 · ade8ba1d
  Mark Abraham authored Nov 29, 2012
  ade8ba1d
- Merge "Added .gitignore for kernel generation" into release-4-6 · 1dec3ba3
  Mark Abraham authored Nov 29, 2012
  
  1dec3ba3
- Merge "Double precision AVX-256 kernels" into release-4-6 · 0f946d88
  Mark Abraham authored Nov 29, 2012
  
  0f946d88
- Added .gitignore for kernel generation · baefb0af
  Mark Abraham authored Nov 28, 2012
  baefb0af
- Merge "Fixing issue with GPU detection reporting" into release-4-6 · e5a3bd0a
  Mark Abraham authored Nov 29, 2012
  
  e5a3bd0a
- Merge "Double precision AVX_128_FMA kernels" into release-4-6 · 75d60ad6
  Mark Abraham authored Nov 29, 2012
  
  75d60ad6
- Merge "Fix: pthread variables were overwritten by gmxManageGPU" into release-4-6 · 10811e2e
  Mark Abraham authored Nov 29, 2012
  
  10811e2e
- Double precision AVX-256 kernels · 2a08352d
  Erik Lindahl authored Nov 29, 2012
  2a08352d
- Double precision AVX_128_FMA kernels · 529bfd7c
  Erik Lindahl authored Nov 28, 2012
  529bfd7c