Commits · main · Wang Sihan / GROMACS

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Jun 20, 2024
- Replace pointers by ArrayRef in dd_gatherv() · 0018eb61
  Berk Hess authored Nov 15, 2023
  
  0018eb61
- Fix clang tidy build · 216b90d4
  Paul Bauer authored Jun 20, 2024 and Andrey Alekseenko committed Jun 20, 2024
  216b90d4
- Use RPC XDR as external library, based on a recent official version. · 1f4a152a
  Magnus Lundborg authored Jun 20, 2024 and Mark Abraham committed Jun 20, 2024
  1f4a152a
Jun 19, 2024
- Add hip version information to gmx --version output · 7846e617
  Paul Bauer authored Jun 19, 2024
  7846e617
Jun 18, 2024
- Minor cleanup in nbnxn_make_pairlist_part() · 51e7c08b
  Berk Hess authored Jun 18, 2024 and Magnus Lundborg committed Jun 18, 2024
  
  51e7c08b
- SYCL: Simplify includes · cb742fb0
  Andrey Alekseenko authored Jun 18, 2024 and Magnus Lundborg committed Jun 18, 2024
  cb742fb0
Jun 16, 2024
- SYCL GPU Pairlist sorting · b3fb7f7a
  Andrey Alekseenko authored Jun 16, 2024
  b3fb7f7a
Jun 14, 2024
- Add basic device detection when using HIP · 602a366a
  Paul Bauer authored Jun 14, 2024 and Mark Abraham committed Jun 14, 2024
  602a366a
Jun 13, 2024
- Clean up gmx grompp · b88f907d
  Mark Abraham authored Jun 03, 2024 and Andrey Alekseenko committed Jun 13, 2024
  b88f907d
- Change logic of gmx anaeig · 5b7dde81
  Mark Abraham authored Jun 04, 2024 and Magnus Lundborg committed Jun 13, 2024
  5b7dde81
Jun 12, 2024
- Clean up logic of gmx xpm2ps · 37f85b43
  Mark Abraham authored May 19, 2024
  37f85b43
- Made developer build a bit more useful · 66cb22e4
  Vedran Miletić authored May 21, 2024 and Paul Bauer committed Jun 12, 2024
  66cb22e4
- Merge branch release-2024 into main · 9e0dc8b8
  Paul Bauer authored Jun 12, 2024
  9e0dc8b8
- Change Gitlab CI to use new GPU config Gitlab-runners · 81b46c78
  Erik Lindahl authored Jun 12, 2024 and Mark Abraham committed Jun 12, 2024
  81b46c78
May 22, 2024
- Allowed overriding of CXX_STANDARD · e0c89b35
  Vedran Miletić authored May 21, 2024 and Andrey Alekseenko committed May 22, 2024
  e0c89b35
- Move NBNxM TestSystem to its own files · 75fbe2e5
  Berk Hess authored May 22, 2024 and Magnus Lundborg committed May 22, 2024
  75fbe2e5
- Make HostAllocationPolicy more flexible · 364f67f5
  Mark Abraham authored Apr 05, 2024
  364f67f5
- tune_pme: fix MPI/GPU detection · 1820ba9a
  Gilles Gouaillardet authored May 22, 2024 and Szilárd Páll committed May 22, 2024
  1820ba9a
May 21, 2024
- Documented UBSAN build · 8c7dff38
  Vedran Miletić authored Mar 06, 2024
  
  8c7dff38
- Fix running gpu tests when no GPU present · d408a235
  Paul Bauer authored May 21, 2024 and Andrey Alekseenko committed May 21, 2024
  d408a235
- Correct naming and docs of NBNxM kernel test input · d3d77ce1
  Berk Hess authored May 21, 2024 and Andrey Alekseenko committed May 21, 2024
  d3d77ce1
May 20, 2024
- Merge release-2024 into main · 4bf9b456
  Andrey Alekseenko authored May 20, 2024
  4bf9b456
May 16, 2024
- Cherrypick of !4295: Fix convert-tpr segfault when no velocities [...] · 46ce888a
  Eliane Briand authored May 16, 2024 and Magnus Lundborg committed May 16, 2024
  46ce888a
May 15, 2024
- Avoid static analyzer warning · 59b79e4d
  Mark Abraham authored May 13, 2024
  
  59b79e4d
- Fix some MSVC warnings · 8c425dc7
  Mark Abraham authored May 03, 2024
  
  8c425dc7
May 14, 2024
- Improve docs around LSAN-with-ASAN usage · e1335f7e
  Mark Abraham authored May 14, 2024
  e1335f7e
- Fix convert-tpr segfault when no velocities are present in the tpr file · 30951633
  Eliane Briand authored May 14, 2024 and Magnus Lundborg committed May 14, 2024
  30951633
May 10, 2024
- Prepare branch for 2024.3 point release · 25e323c9
  Lukas Müllender authored May 10, 2024
  25e323c9
- Add HIP implementation of device typecasts · 74276851
  Paul Bauer authored May 10, 2024
  74276851
- Release 2024.2 · 5faf1185
  Lukas Müllender authored May 10, 2024 and Magnus Lundborg committed May 10, 2024
  View commits for tag v2024.2 v2024.2
  5faf1185
- Revert "GROMACS 2024.2 release" · cf9a19d9
  Lukas Müllender authored May 10, 2024
  cf9a19d9
- GROMACS 2024.2 release · 3f8552eb
  Lukas Müllender authored May 10, 2024 and Magnus Lundborg committed May 10, 2024
  3f8552eb
- Localize variables in do_tpi() · edcda2c4
  Berk Hess authored May 10, 2024 and Mark Abraham committed May 10, 2024
  edcda2c4
- Replaced u8string() calls with string() · 76c99e37
  Vedran Miletić authored May 09, 2024 and Mark Abraham committed May 10, 2024
  76c99e37
- Simplify filename creation in gmx analyze · 56d53359
  Mark Abraham authored May 10, 2024 and Paul Bauer committed May 10, 2024
  56d53359
- Simplify filename creation in gmx cluster · e40267fa
  Mark Abraham authored May 10, 2024 and Paul Bauer committed May 10, 2024
  e40267fa
May 08, 2024
- Add HIP implementation for device event and event synchronizer · 5d2129b5
  Paul Bauer authored May 08, 2024 and Andrey Alekseenko committed May 08, 2024
  5d2129b5
- Revert addition to authors list · f03ad731
  Paul Bauer authored May 02, 2024 and Magnus Lundborg committed May 08, 2024
  f03ad731
- Add missing synchronization before buffer reallocation · c15cf20c
  Andrey Alekseenko authored May 08, 2024 and Magnus Lundborg committed May 08, 2024
  c15cf20c
- Avoid constraining velocities with MTS virial calculation · f580e248
  Berk Hess authored May 08, 2024 and Paul Bauer committed May 08, 2024
  f580e248