BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2019-12-12	Artem Zhmurov	Allow using GPU update with DD and update groups	commit \| commitdiff \| tree \| snapshot
2019-12-11	Artem Zhmurov	Enable most of the pulling flavors with GPU update	commit \| commitdiff \| tree \| snapshot
2019-12-11	Mark Abraham	Document DOMAINDECOMP(cr) correctly	commit \| commitdiff \| tree \| snapshot
2019-12-11	Artem Zhmurov	Clarify what setting zero to some output mdp options...	commit \| commitdiff \| tree \| snapshot
2019-12-11	M. Eric Irrgang	gmxapi landing page update.	commit \| commitdiff \| tree \| snapshot
2019-12-11	M. Eric Irrgang	gmxapi documentation readability improvements.	commit \| commitdiff \| tree \| snapshot
2019-12-11	M. Eric Irrgang	gmxapi documentation formatting improvements.	commit \| commitdiff \| tree \| snapshot
2019-12-10	Artem Zhmurov	Set GPU update to false in case of a rerun	commit \| commitdiff \| tree \| snapshot
2019-12-07	M. Eric Irrgang	Finalize gmxapi 0.1	commit \| commitdiff \| tree \| snapshot
2019-12-06	Mark Abraham	Avoid 386 O3 codegen bug	commit \| commitdiff \| tree \| snapshot
2019-12-06	M. Eric Irrgang	Add notes on MPI with gmxapi Python package.	commit \| commitdiff \| tree \| snapshot
2019-12-06	Artem Zhmurov	Pass array ref instead of casting to basic array in...	commit \| commitdiff \| tree \| snapshot
2019-12-06	Mark Abraham	Provide more feedback when listed forces tests fail	commit \| commitdiff \| tree \| snapshot
2019-12-06	M. Eric Irrgang	gmxapi Python package usage prose.	commit \| commitdiff \| tree \| snapshot
2019-12-06	M. Eric Irrgang	Improve pytest fixtures for directory management.	commit \| commitdiff \| tree \| snapshot
2019-12-05	Christian Blau	Relax cross-correlation test precision	commit \| commitdiff \| tree \| snapshot
2019-12-04	Mark Abraham	Added OpenCL build to release matrix	commit \| commitdiff \| tree \| snapshot
2019-12-04	Mark Abraham	Removed unnecessary link_directories command for gtest	commit \| commitdiff \| tree \| snapshot
2019-12-04	Christian Blau	Remove cutoff-scheme group from default mdout.mdp output	commit \| commitdiff \| tree \| snapshot
2019-12-03	Paul Bauer	Third beta release of GROMACS 2020	commit \| commitdiff \| tree \| snapshot
2019-12-03	Paul Bauer	Revert "Enable GPU update with DD when GPU comm feature...	commit \| commitdiff \| tree \| snapshot
2019-12-03	Paul Bauer	Fix nightly build by correctly defining several	commit \| commitdiff \| tree \| snapshot
2019-12-03	Alan Gray	Enable GPU update with DD when GPU comm features are...	commit \| commitdiff \| tree \| snapshot
2019-12-02	Paul Bauer	Set update to run on GPU by default if possible	commit \| commitdiff \| tree \| snapshot
2019-12-02	Jonathan Vincent	Heuristics for switching between CUDA spread/gather...	commit \| commitdiff \| tree \| snapshot
2019-12-02	Berk Hess	Add check for coupled constraints for CUDA update	commit \| commitdiff \| tree \| snapshot
2019-12-02	Berk Hess	Extract LINCS CUDA helper functions	commit \| commitdiff \| tree \| snapshot
2019-12-02	Christian Blau	Relax test tolerance for cross correlation measure...	commit \| commitdiff \| tree \| snapshot
2019-12-01	Paul Bauer	Use DOI for citing in reference manual section	commit \| commitdiff \| tree \| snapshot
2019-12-01	Mark Abraham	Further improve taskassignment exception handling	commit \| commitdiff \| tree \| snapshot
2019-11-29	Berk Hess	Merge "Merge branch release-2019 into release-2020...	commit \| commitdiff \| tree \| snapshot
2019-11-29	Paul Bauer	Fix unaligned access with AVX512	commit \| commitdiff \| tree \| snapshot
2019-11-29	Paul Bauer	Fix build error without thread or regular mpi	commit \| commitdiff \| tree \| snapshot
2019-11-29	Artem Zhmurov	Print OpenCL error info in case of failed assertion...	commit \| commitdiff \| tree \| snapshot
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	commit \| commitdiff \| tree \| snapshot
2019-11-29	Artem Zhmurov	Make Leap-Frog CUDA kernel selection safer	commit \| commitdiff \| tree \| snapshot
2019-11-29	Artem Zhmurov	Rename some variables in GPU Update	commit \| commitdiff \| tree \| snapshot
2019-11-28	Paul Bauer	Check for using correct hwloc headers and runtime	commit \| commitdiff \| tree \| snapshot
2019-11-28	Artem Zhmurov	Clear device force buffer if it was reallocated	commit \| commitdiff \| tree \| snapshot
2019-11-28	Berk Hess	Update documenation for NPT GPU update	commit \| commitdiff \| tree \| snapshot
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	commit \| commitdiff \| tree \| snapshot
2019-11-28	Paul Bauer	Fix postsubmit	commit \| commitdiff \| tree \| snapshot
2019-11-28	Berk Hess	Remove assertion failure in AWH without initial stage	commit \| commitdiff \| tree \| snapshot
2019-11-28	Berk Hess	Fix bug with GPU pressure scaling at non T-scaling...	commit \| commitdiff \| tree \| snapshot
2019-11-28	Christian Blau	Fix check-pointing for density guided simulations	commit \| commitdiff \| tree \| snapshot
2019-11-27	Artem Zhmurov	Combine two booleans in md loop	commit \| commitdiff \| tree \| snapshot
2019-11-27	Mark Abraham	Disable GPU PME-PP communication with mdrun -pmefft cpu	commit \| commitdiff \| tree \| snapshot
2019-11-27	Artem Zhmurov	Add method for coordinates scaling into GPU update...	commit \| commitdiff \| tree \| snapshot
2019-11-27	M. Eric Irrgang	Add gmxapi_extension tests to 'tests' target.	commit \| commitdiff \| tree \| snapshot
2019-11-27	Alan Gray	Event-based Dependency for GPU Force Halo Exchange	commit \| commitdiff \| tree \| snapshot
2019-11-26	Mark Abraham	Improve handling of task-assignment exceptions	commit \| commitdiff \| tree \| snapshot
2019-11-26	Mark Abraham	Relax tolerance for bd tests	commit \| commitdiff \| tree \| snapshot
2019-11-26	Alan Gray	Bug fix for nonlocal D2H coordinate transfer synchroniz...	commit \| commitdiff \| tree \| snapshot
2019-11-26	Paul Bauer	Fix unused variable warning in ewald code	commit \| commitdiff \| tree \| snapshot
2019-11-26	Berk Hess	Fix issues with AWH with periodic pulling	commit \| commitdiff \| tree \| snapshot
2019-11-25	Alan Gray	Fix race condition in GPU X halo exchange with GPU...	commit \| commitdiff \| tree \| snapshot
2019-11-25	Christian Blau	Fix duplicate CONNECT records in pdb files	commit \| commitdiff \| tree \| snapshot
2019-11-25	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree \| snapshot
2019-11-25	Christian Blau	Read mrc density map format with all endianesses.	commit \| commitdiff \| tree \| snapshot
2019-11-25	Christian Blau	Check mrc header for sanity	commit \| commitdiff \| tree \| snapshot
2019-11-25	Artem Zhmurov	Fix index mapping issue with LINCS on GPU	commit \| commitdiff \| tree \| snapshot
2019-11-24	Christian Blau	InMemorySerializer with endianess swap.	commit \| commitdiff \| tree \| snapshot
2019-11-23	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree \| snapshot
2019-11-21	Mark Abraham	New cool quote	commit \| commitdiff \| tree \| snapshot
2019-11-20	Vedran Miletić	Fix building on Solaris with GCC	commit \| commitdiff \| tree \| snapshot
2019-11-20	Artem Zhmurov	Add D2H copies for the checkpointing	commit \| commitdiff \| tree \| snapshot
2019-11-20	Artem Zhmurov	Move the copy of the velocities for the output closer...	commit \| commitdiff \| tree \| snapshot
2019-11-20	Berk Hess	Quiet pdb2gmx and use gmx_fatal	commit \| commitdiff \| tree \| snapshot
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	commit \| commitdiff \| tree \| snapshot
2019-11-20	Alan Gray	Move pmePpCommGpu reset outside do_md	commit \| commitdiff \| tree \| snapshot
2019-11-20	M. Eric Irrgang	Remove stub content from gmxapi docs.	commit \| commitdiff \| tree \| snapshot
2019-11-20	Mark Abraham	Quiet uninitialized variable warning with clang 9	commit \| commitdiff \| tree \| snapshot
2019-11-19	Mark Abraham	Updated release notes for CODATA update	commit \| commitdiff \| tree \| snapshot
2019-11-19	Berk Hess	Fix bonded atom communication performance	commit \| commitdiff \| tree \| snapshot
2019-11-19	Artem Zhmurov	Fix icc-19 warning in nightly matrix	commit \| commitdiff \| tree \| snapshot
2019-11-18	Berk Hess	Fix intermolecular interactions with DD	commit \| commitdiff \| tree \| snapshot
2019-11-17	Szilárd Páll	Trigger ocl_nbnxm_kernels target with clang-tidy	commit \| commitdiff \| tree \| snapshot
2019-11-17	M. Eric Irrgang	Remove extraneous file.	commit \| commitdiff \| tree \| snapshot
2019-11-17	M. Eric Irrgang	Add transitional links for online gmxapi Python package...	commit \| commitdiff \| tree \| snapshot
2019-11-17	M. Eric Irrgang	Improve gmxapi Dockerfiles.	commit \| commitdiff \| tree \| snapshot
2019-11-17	Szilárd Páll	Fix clang-tidy 8 warnings in OpenCL nbnxm kernels	commit \| commitdiff \| tree \| snapshot
2019-11-16	Mark Abraham	Relaxed listed forces test tolerances	commit \| commitdiff \| tree \| snapshot
2019-11-16	Mark Abraham	Stop testing that hwloc cache-size detection works...	commit \| commitdiff \| tree \| snapshot
2019-11-15	Alan Gray	Replace blocking with non-blocking receive in GPU PME...	commit \| commitdiff \| tree \| snapshot
2019-11-14	Paul Bauer	Fix formatting error	commit \| commitdiff \| tree \| snapshot
2019-11-13	Paul Bauer	Add build to run clang-format update on Jenkins	commit \| commitdiff \| tree \| snapshot
2019-11-13	Erik Lindahl	Updated physical constants to CODATA 2018	commit \| commitdiff \| tree \| snapshot
2019-11-12	Paul Bauer	Indicate which versions are no longer supported	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Achieve gmxapi fr15.	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Updates to gmxapi FR15 acceptance test.	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Update notes and tests regarding gmxapi acceptance...	commit \| commitdiff \| tree \| snapshot
2019-11-09	Alan Gray	Modernize naming in GPU buffer ops kernels	commit \| commitdiff \| tree \| snapshot
2019-11-09	ejjordan	Fix mdp parameter handling in mdrun tests	commit \| commitdiff \| tree \| snapshot
2019-11-08	ejjordan	Fix 2 broken NOLINT's from clang-format change	commit \| commitdiff \| tree \| snapshot
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	commit \| commitdiff \| tree \| snapshot
2019-11-07	Paul Bauer	Apply clang-format to source tree	commit \| commitdiff \| tree \| snapshot
2019-11-07	Berk Hess	Fix .gro large box writing	commit \| commitdiff \| tree \| snapshot
2019-11-07	Christian Blau	Stochastic dynamics - document that nsttcouple is ignored	commit \| commitdiff \| tree \| snapshot
2019-11-06	Berk Hess	Deprecated sc-r-power=48	commit \| commitdiff \| tree \| snapshot
2019-11-06	Erik Lindahl	Work around broken Apple compilers in Mac OS 10.15	commit \| commitdiff \| tree \| snapshot
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