Commits · v5.1-rc1 · GROMACS / GROMACS

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Jul 06, 2015
- First 5.1 release candidate · e6a9deb1
  Mark Abraham authored Jun 30, 2015
  View commits for tag v5.1-rc1 v5.1-rc1
  e6a9deb1
- Fix too small GPU pair count estimates · ba4c59d2
  Berk Hess authored Jul 01, 2015 and Mark Abraham committed Jul 06, 2015
  ba4c59d2
Jul 05, 2015
- Fix DD DLB state issue · c1da1c9b
  Berk Hess authored Jul 02, 2015 and Erik Lindahl committed Jul 05, 2015
  c1da1c9b
- Fix bug in GPU list balancing · 466e3633
  Berk Hess authored Jul 03, 2015
  466e3633
Jul 04, 2015
- Obey OpenMP thread count limit with tMPI · f8259e4b
  Berk Hess authored Jul 02, 2015
  f8259e4b
- Fix two PME DLB trigger issues · 5e1339d8
  Berk Hess authored Jul 01, 2015
  5e1339d8
Jul 03, 2015
- Fix ThreadMPI GPU assumptions · 5b81d1f0
  Mark Abraham authored Jul 02, 2015
  5b81d1f0
- Correct grompp pull warning message · b5c9f851
  Berk Hess authored Jul 02, 2015
  b5c9f851
Jul 02, 2015
- Fix OpenCL compilation errors. · 90fdc92d
  Szilárd Páll authored Jul 01, 2015
  90fdc92d
- Remove status messages about Sphinx detection · 0dbf5ddb
  Teemu Murtola authored Jul 01, 2015
  0dbf5ddb
Jun 30, 2015
- Fix inconsistent OpenMP automation · b8ec3e0c
  Berk Hess authored Jun 30, 2015
  b8ec3e0c
- Document how to add and use NVML support · 4372f13d
  Mark Abraham authored Apr 21, 2015
  4372f13d
- Avoid GPU data race also with OpenCL · 3fed3960
  Mark Abraham authored Jun 30, 2015
  3fed3960
- enabled 1 PP + 1 PME node · 1261252a
  Berk Hess authored Aug 05, 2014
  1261252a
- Add checks for inefficient resource usage · 341fe0c7
  Berk Hess authored Apr 24, 2015
  341fe0c7
- Add support for flushing WDDM queue · f82f9d7b
  Mark Abraham authored Mar 25, 2015
  f82f9d7b
Jun 29, 2015
- Merge "Merge branch release-5-0" · 227d8666
  Mark Abraham authored Jun 29, 2015
  
  227d8666
- Fix OS X openCL builds · ce6a6c61
  Erik Lindahl authored Jun 27, 2015
  ce6a6c61
- Replace functions deprecated in OpenCL 1.2 · 71aeaca3
  Erik Lindahl authored Jun 25, 2015
  71aeaca3
- Only accept exact matches for selection keywords · b8f5c732
  Teemu Murtola authored Jun 29, 2015
  b8f5c732
- Merge branch release-5-0 · 255d27b2
  Mark Abraham authored Jun 29, 2015
  255d27b2
- Documented build types in developer guide · 58be9efb
  Mark Abraham authored Jun 29, 2015
  58be9efb
- Merge release-4-6 into release-5-0 · 0f4c0a07
  Mark Abraham authored Jun 29, 2015
  0f4c0a07
- Implement OpenCL support · e41872b6
  anca authored Jan 10, 2015
  e41872b6
- Add MSAN build type · 7e6770b4
  Mark Abraham authored Jul 09, 2014
  7e6770b4
- Fix bug removing multiple dihedrals in main rtp entries · 910e8ed9
  Erik Lindahl authored Jun 23, 2015
  910e8ed9
- Fix all use of nbnxn_simd.h · 0f2102b4
  Mark Abraham authored Jun 25, 2015
  0f2102b4
- Make some unit tests skip file system access · 4edeca7a
  Teemu Murtola authored Jun 24, 2015
  4edeca7a
- Removed gmx protonate tool · 0d9d2c84
  Erik Lindahl authored Jun 28, 2015
  0d9d2c84
- Improve DLB+PME tuning with GPUs · 9975f1ad
  Berk Hess authored Aug 04, 2014
  9975f1ad
- Fix CUDA inter-stream synchronization issue · 92d9b39b
  Szilárd Páll authored Jun 29, 2015
  92d9b39b
Jun 28, 2015
- Fix double precision reference SIMD and gcc bug · 21a7c2bf
  Erik Lindahl authored Jun 05, 2015
  21a7c2bf
- Fix one error and compiler warnings with Cuda & clang-3.6 · 5822b640
  Erik Lindahl authored Jun 12, 2015
  5822b640
- Append _pullx_ and _pullf to pull files when -deffnm used. · aea28fdc
  Peter Kasson authored Jun 22, 2015
  aea28fdc
- Remove unused cmake files · 82c53160
  Roland Schulz authored Jun 27, 2015
  82c53160
- Don't use check_library for libm · 6cfbcb77
  Roland Schulz authored Jun 27, 2015
  6cfbcb77
Jun 27, 2015
- Improve pair search thread load balance · 301edb90
  Berk Hess authored Jun 10, 2015 and Mark Abraham committed Jun 28, 2015
  301edb90
- Improved the intra-GPU load balancing · 6106367b
  Berk Hess authored Nov 03, 2014
  6106367b
- Fix CUDA architecture dependent issues · adbada47
  Szilárd Páll authored Jun 24, 2015
  adbada47
- Fix IBM VSX SIMD compiles with xlc · a34ffa25
  Erik Lindahl authored Jun 12, 2015
  a34ffa25