Commits · v2019 · googyer / GROMACS

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Dec 31, 2018
- GROMACS 2019 release · 94a20bd8
  Paul Bauer authored Dec 14, 2018
  View commits for tag v2019 v2019
  94a20bd8
- Fix release notes typo · e529facc
  Szilárd Páll authored Dec 31, 2018
  e529facc
- Add CUDA CC 7.5 (Turing) support with nvcc · 298fbe51
  Szilárd Páll authored Dec 21, 2018 and Erik Lindahl committed Dec 31, 2018
  298fbe51
- Only report intra-sim communication with multiple ranks · 68cd56cf
  Kevin Boyd authored Dec 24, 2018 and Paul Bauer committed Dec 31, 2018
  68cd56cf
- Merge branch release-2018 into release-2019 · 40e33acd
  Paul Bauer authored Dec 31, 2018
  40e33acd
Dec 27, 2018
- Document OpenCL timer issue. · 4266d9c5
  Paul Bauer authored Dec 21, 2018 and Erik Lindahl committed Dec 27, 2018
  4266d9c5
Dec 22, 2018
- Fix mdrun -nb GPU on non-gpu builds · 1561d001
  Paul Bauer authored Dec 21, 2018 and Mark Abraham committed Dec 23, 2018
  1561d001
- Runtime check of device OpenCL support · 76336a1c
  Szilárd Páll authored Mar 13, 2018 and Paul Bauer committed Dec 22, 2018
  76336a1c
- Fix unused parameter warning · 71469d25
  Mark Abraham authored Dec 22, 2018
  71469d25
- Add a sanity check for OpenCL devices · 383240b1
  Aleksei Iupinov authored Feb 27, 2018 and Mark Abraham committed Dec 22, 2018
  383240b1
- Missing factor of 2 in cos-acceleration · 35051360
  Jiannan Liu authored Dec 18, 2018 and Mark Abraham committed Dec 22, 2018
  35051360
Dec 21, 2018
- Make jenkins own-fftw verify use local tarball · 45f77562
  Szilárd Páll authored Dec 17, 2018 and Paul Bauer committed Dec 21, 2018
  45f77562
Dec 20, 2018
- Fix CUDA compiled target-device compatibility check · d53b7788
  Szilárd Páll authored Dec 18, 2018 and Berk Hess committed Dec 20, 2018
  d53b7788
- Correct CUDA compatibility check · ba3ab170
  Szilárd Páll authored Dec 18, 2018 and Berk Hess committed Dec 20, 2018
  ba3ab170
- Merge "Merge branch release-2018 into release-2019" into release-2019 · cd6f3757
  Szilárd Páll authored Dec 20, 2018
  
  cd6f3757
Dec 19, 2018
- Restrict number of OpenMP threads during testing. · 0e7fba7c
  M. Eric Irrgang authored Nov 19, 2018
  0e7fba7c
- Missing factor of 2 in cos-acceleration · b14188ac
  Jiannan Liu authored Dec 18, 2018 and Paul Bauer committed Dec 19, 2018
  b14188ac
Dec 17, 2018
- Fix GMX_BUILD_OWN_FFTW_URL CMake cache entry type · afdc4666
  Szilárd Páll authored Apr 09, 2018
  afdc4666
- Add matrix entry to test external FFTW build · b3b27048
  Paul Bauer authored Dec 15, 2018 and Szilárd Páll committed Dec 17, 2018
  b3b27048
- Fix FFTW build · 2e208aef
  Paul Bauer authored Dec 15, 2018 and Szilárd Páll committed Dec 17, 2018
  2e208aef
- Copy parallelisation info from old webpage · 4dd59a16
  Paul Bauer authored Nov 16, 2017
  4dd59a16
- Merge branch release-2018 into release-2019 · 79a1ad23
  Paul Bauer authored Dec 17, 2018
  79a1ad23
Dec 14, 2018
- Fix LINCS triangle constraining with OpenMP · 23025822
  Berk Hess authored Dec 13, 2018 and Paul Bauer committed Dec 14, 2018
  23025822
- GROMACS 2019 Release candidate · 63694227
  Paul Bauer authored Dec 06, 2018
  View commits for tag v2019-rc1 v2019-rc1
  63694227
- Fixed nullptr derefence in LINCS error · b23d1234
  Berk Hess authored Dec 12, 2018 and Paul Bauer committed Dec 14, 2018
  b23d1234
- Set HAVE_LMFIT properly · 07ea0377
  Magnus Lundborg authored Dec 11, 2018 and Paul Bauer committed Dec 14, 2018
  07ea0377
- Fix LINCS triangle constraining with OpenMP · 46f2b82d
  Berk Hess authored Dec 13, 2018 and Paul Bauer committed Dec 14, 2018
  46f2b82d
- Enable ARMPL in the armclang build · 529c45b3
  Szilárd Páll authored Nov 08, 2018 and Paul Bauer committed Dec 14, 2018
  529c45b3
Dec 13, 2018
- Remove unused MdrunComparisonFixture · a6776ef4
  Roland Schulz authored Dec 13, 2018 and Paul Bauer committed Dec 13, 2018
  a6776ef4
- Avoid spurious timing in bonded GPU launch subcounter · ed89b829
  Szilárd Páll authored Dec 13, 2018
  ed89b829
- Document the FP exception in cuFFT 7.0 · c47fc09c
  Szilárd Páll authored Dec 11, 2018 and Paul Bauer committed Dec 13, 2018
  c47fc09c
Dec 12, 2018
- Temporary fix for OpenCL PME gather · a75919e4
  Berk Hess authored Dec 10, 2018
  a75919e4
- Improve DLB report/note · 53fa627d
  Szilárd Páll authored Dec 10, 2018 and Christian Blau committed Dec 12, 2018
  53fa627d
Dec 11, 2018
- Properly check for MSVC in build script · fb41b3e2
  Paul Bauer authored Dec 11, 2018 and Mark Abraham committed Dec 12, 2018
  fb41b3e2
- Tweak the bonded GPU energy copy/wait operations · da047144
  Szilárd Páll authored Dec 10, 2018 and Mark Abraham committed Dec 11, 2018
  da047144
- Fix update groups with 2D/3D DLB · a4ce3b95
  Berk Hess authored Dec 07, 2018 and Mark Abraham committed Dec 11, 2018
  a4ce3b95
- Make large PME grids work on GPU · c15057c7
  Berk Hess authored Dec 05, 2018 and Mark Abraham committed Dec 11, 2018
  c15057c7
- Document mdrun mdp option modification · 1df51788
  Berk Hess authored Dec 10, 2018 and Mark Abraham committed Dec 11, 2018
  1df51788
Dec 10, 2018
- Disable gmxapi by default · 3fd14b5f
  Paul Bauer authored Dec 10, 2018
  3fd14b5f
- Make only mdrun report process ID · 515ea06d
  Mark Abraham authored Dec 10, 2018 and Berk Hess committed Dec 10, 2018
  515ea06d