Commits · v2020 · pnorbert / GROMACS

Browse files

Jan 01, 2020
- GROMACS 2020 release · 29dff396
  Paul Bauer authored Dec 27, 2019
  View commits for tag v2020 v2020
  29dff396
- Revert "GROMACS 2020 release" · 1830a561
  Paul Bauer authored Jan 01, 2020
  1830a561
- GROMACS 2020 release · 78c3280a
  Paul Bauer authored Dec 27, 2019 and Mark Abraham committed Jan 01, 2020
  78c3280a
- Add link to paper explaining GROMOS twin-range issues. · 5b8ee0f2
  Erik Lindahl authored Dec 31, 2019 and Mark Abraham committed Jan 01, 2020
  5b8ee0f2
Dec 31, 2019
- Avoid 386 O3 codegen bug even more · af698c8f
  Mark Abraham authored Dec 31, 2019
  af698c8f
- Inform user why forcing GPU update is not possible · 7016f3f5
  Artem Zhmurov authored Dec 30, 2019 and Mark Abraham committed Dec 31, 2019
  7016f3f5
- Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev flag to the UG · 1b72e11d
  Artem Zhmurov authored Dec 30, 2019 and Mark Abraham committed Dec 31, 2019
  1b72e11d
- Fix gpuupdate matrix · badb7d80
  Artem Zhmurov authored Dec 30, 2019 and Mark Abraham committed Dec 31, 2019
  badb7d80
Dec 30, 2019
- Tests that verify serializer behaviours · 9fd7ce83
  Mark Abraham authored Dec 30, 2019
  9fd7ce83
- Remove use of tuple in LINCS code for GPU implementation · a65fe6e7
  Mark Abraham authored Dec 30, 2019 and Artem Zhmurov committed Dec 30, 2019
  a65fe6e7
- Fix build error with wrong name from cached cmake file · 517554ee
  Paul Bauer authored Dec 23, 2019
  517554ee
Dec 29, 2019
- Write TPR body as opaque XDR data in big-endian format · c4ebf375
  Erik Lindahl authored Dec 29, 2019 and Paul Bauer committed Dec 29, 2019
  c4ebf375
Dec 28, 2019
- Change the behavior of the GPU update UI · d30f2cb6
  Artem Zhmurov authored Dec 27, 2019 and Mark Abraham committed Dec 28, 2019
  d30f2cb6
- Resolve CMake ambiguities for gmxapi Python package build. · f53394cf
  M. Eric Irrgang authored Dec 27, 2019 and Paul Bauer committed Dec 28, 2019
  f53394cf
- Change releng to give information about Gitlab · a6158f30
  Paul Bauer authored Dec 28, 2019
  a6158f30
- Extend information for GPU update · b0068b4b
  Paul Bauer authored Dec 28, 2019
  b0068b4b
- Exclude build-system files from CPack · 617d7fb7
  Paul Bauer authored Dec 23, 2019
  617d7fb7
- Merge "Merge origin/release-2019 into release-2020" into release-2020 · a3298a2e
  Mark Abraham authored Dec 28, 2019
  
  a3298a2e
- Remove membed from features · f4de94cd
  Paul Bauer authored Dec 28, 2019 and Mark Abraham committed Dec 28, 2019
  f4de94cd
- Deprecate support for Armv7 · befea4fc
  Paul Bauer authored Dec 27, 2019
  befea4fc
Dec 27, 2019
- Add a note to the log file when -update gpu was set with DD · 80afed33
  Artem Zhmurov authored Dec 20, 2019 and Paul Bauer committed Dec 27, 2019
  80afed33
- Add copyright check and improve cache usage · 7ca49fb0
  Paul Bauer authored Dec 23, 2019
  7ca49fb0
- Merge origin/release-2019 into release-2020 · 0129e2cc
  Paul Bauer authored Dec 27, 2019
  0129e2cc
- Clean bad auto-format in decidegpuusage doxygen comments · a60b85cd
  Artem Zhmurov authored Dec 27, 2019 and Paul Bauer committed Dec 27, 2019
  a60b85cd
- Update intersphinx configuration. · f66c69ef
  M. Eric Irrgang authored Dec 12, 2019 and M. Eric Irrgang committed Dec 27, 2019
  f66c69ef
Dec 26, 2019
- Set Sphinx default role. · 72688a46
  M. Eric Irrgang authored Dec 12, 2019 and M. Eric Irrgang committed Dec 26, 2019
  72688a46
- Fix external web link. · 26facdee
  M. Eric Irrgang authored Dec 26, 2019
  26facdee
- Clean up Sphinx interpreted text in the default role. · 55332916
  M. Eric Irrgang authored Dec 12, 2019 and M. Eric Irrgang committed Dec 26, 2019
  55332916
Dec 23, 2019
- Add files for Gitlab CI · 867dabd6
  Paul Bauer authored Dec 20, 2019
  867dabd6
- Prepare for GROMACS 2019.6 · ea409ccc
  Paul Bauer authored Dec 16, 2019
  ea409ccc
- GROMACS version 2019.5 · d0f4d596
  Paul Bauer authored Dec 16, 2019
  View commits for tag v2019.5 v2019.5
  d0f4d596
- Revert "Fix that tests intended for multiple ranks run that way" · 47ab52f5
  Paul Bauer authored Dec 22, 2019
  47ab52f5
Dec 20, 2019
- Add user guide doc for GPU buffer ops and comms env variables · 50795e78
  Alan Gray authored Dec 12, 2019 and Magnus Lundborg committed Dec 20, 2019
  50795e78
- Fix wrong header in release notes · 1288d2e6
  Paul Bauer authored Dec 20, 2019 and Artem Zhmurov committed Dec 20, 2019
  1288d2e6
- Remove problematic output of gmx angle · 37516546
  Christian Blau authored Nov 25, 2019 and Berk Hess committed Dec 20, 2019
  37516546
- GROMACS 2020 release candidate · afabdfcc
  Paul Bauer authored Dec 17, 2019
  View commits for tag v2020-rc1 v2020-rc1
  afabdfcc
- Enable buffer ops when GMX_GPU_DD_COMMS is set · 06bbf801
  Szilárd Páll authored Dec 19, 2019 and Mark Abraham committed Dec 20, 2019
  06bbf801
Dec 19, 2019
- Fix regressiontests failing with ctest · 3c0256f1
  Paul Bauer authored Dec 19, 2019 and Mark Abraham committed Dec 19, 2019
  3c0256f1
- Release note for GPU direct communications · 52388ada
  Alan Gray authored Dec 19, 2019 and Magnus Lundborg committed Dec 19, 2019
  52388ada
- Fix PME tuning issue when PME-PP communications are active · db9bd671
  Alan Gray authored Dec 19, 2019 and Paul Bauer committed Dec 19, 2019
  db9bd671