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

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2020-04-08	Mark Abraham	Fixes for clang-tidy-9	commit \| commitdiff \| tree
2020-04-07	Mark Abraham	Replace EnumOption with EnumerationArrayOption	commit \| commitdiff \| tree
2020-03-18	Mark Abraham	Fix unused variable in PME OpenCL kernel	commit \| commitdiff \| tree
2020-03-18	Mark Abraham	Simplify PME GPU constants	commit \| commitdiff \| tree
2020-03-14	Mark Abraham	Move testing code to test directory	commit \| commitdiff \| tree
2020-03-13	Mark Abraham	Require padded atom data for PME GPU	commit \| commitdiff \| tree
2020-03-09	Mark Abraham	Consolidate PME GPU spline infrastructure	commit \| commitdiff \| tree
2020-03-06	Mark Abraham	Simplify compiling GPU code for tests	commit \| commitdiff \| tree
2020-03-05	Mark Abraham	Simplify PME step workload management	commit \| commitdiff \| tree
2020-03-04	Mark Abraham	Improve TPI handling	commit \| commitdiff \| tree
2020-02-23	Mark Abraham	Removed unused PME gather functionality	commit \| commitdiff \| tree
2020-02-18	Mark Abraham	Added more docs and tests to EnumerationArray	commit \| commitdiff \| tree
2020-01-27	Mark Abraham	Update some nbnxm kernel constants to constexpr	commit \| commitdiff \| tree
2020-01-27	Mark Abraham	Remove element-size member fields	commit \| commitdiff \| tree
2020-01-27	Mark Abraham	Make NbnxnGpu class with constructor	commit \| commitdiff \| tree
2020-01-17	Mark Abraham	Regularize nbnxm module doxygen	commit \| commitdiff \| tree
2020-01-16	Mark Abraham	Make nbnxm headers more self-contained	commit \| commitdiff \| tree
2020-01-09	Mark Abraham	Clean up ewald module internals	commit \| commitdiff \| tree
2020-01-09	Mark Abraham	Split lines with many copyright years	commit \| commitdiff \| tree
2019-12-31	Mark Abraham	Avoid 386 O3 codegen bug even more	commit \| commitdiff \| tree
2019-12-30	Mark Abraham	Tests that verify serializer behaviours	commit \| commitdiff \| tree
2019-12-30	Mark Abraham	Remove use of tuple in LINCS code for GPU implementation	commit \| commitdiff \| tree
2019-12-28	Mark Abraham	Remove GMX_CYCLECOUNTERS	commit \| commitdiff \| tree
2019-12-28	Mark Abraham	Merge "Merge origin/release-2019 into release-2020...	commit \| commitdiff \| tree
2019-12-28	Mark Abraham	Remove support for ARMv7	commit \| commitdiff \| tree
2019-12-28	Mark Abraham	Stop testing ARMv7	commit \| commitdiff \| tree
2019-12-17	Mark Abraham	Fix that tests intended for multiple ranks run that way	commit \| commitdiff \| tree
2019-12-14	Mark Abraham	Simplify gmxapi RPATH handling	commit \| commitdiff \| tree
2019-12-12	Mark Abraham	Merge "Merge branch 'origin/release-2020' into master"	commit \| commitdiff \| tree
2019-12-11	Mark Abraham	Document DOMAINDECOMP(cr) correctly	commit \| commitdiff \| tree
2019-12-10	Mark Abraham	Simplify gmxapi RPATH handling	commit \| commitdiff \| tree
2019-12-06	Mark Abraham	Avoid 386 O3 codegen bug	commit \| commitdiff \| tree
2019-12-06	Mark Abraham	Provide more feedback when listed forces tests fail	commit \| commitdiff \| tree
2019-12-04	Mark Abraham	Added OpenCL build to release matrix	commit \| commitdiff \| tree
2019-12-04	Mark Abraham	Removed unnecessary link_directories command for gtest	commit \| commitdiff \| tree
2019-12-01	Mark Abraham	Further improve taskassignment exception handling	commit \| commitdiff \| tree
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	commit \| commitdiff \| tree
2019-11-27	Mark Abraham	Disable GPU PME-PP communication with mdrun -pmefft cpu	commit \| commitdiff \| tree
2019-11-26	Mark Abraham	Improve handling of task-assignment exceptions	commit \| commitdiff \| tree
2019-11-26	Mark Abraham	Relax tolerance for bd tests	commit \| commitdiff \| tree
2019-11-21	Mark Abraham	Merge branch release-2020	commit \| commitdiff \| tree
2019-11-21	Mark Abraham	New cool quote	commit \| commitdiff \| tree
2019-11-20	Mark Abraham	Quiet uninitialized variable warning with clang 9	commit \| commitdiff \| tree
2019-11-19	Mark Abraham	Updated release notes for CODATA update	commit \| commitdiff \| tree
2019-11-16	Mark Abraham	Relaxed listed forces test tolerances	commit \| commitdiff \| tree
2019-11-16	Mark Abraham	Stop testing that hwloc cache-size detection works...	commit \| commitdiff \| tree
2019-10-31	Mark Abraham	Tests for valid periodic actions	commit \| commitdiff \| tree
2019-10-13	Mark Abraham	Ensure environment variable use does not give warnings	commit \| commitdiff \| tree
2019-10-07	Mark Abraham	Extend GPU traits class	commit \| commitdiff \| tree
2019-10-04	Mark Abraham	Fix that tests intended for multiple ranks run that way	commit \| commitdiff \| tree
2019-10-02	Mark Abraham	Improve PME testing	commit \| commitdiff \| tree
2019-10-01	Mark Abraham	Move GPU task assignment	commit \| commitdiff \| tree
2019-10-01	Mark Abraham	Fix icc warnings	commit \| commitdiff \| tree
2019-10-01	Mark Abraham	Removed dependency on commrec of mdrun setup	commit \| commitdiff \| tree
2019-09-30	Mark Abraham	Make a builder for DD	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Improve MiMiC test implementation	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Stop checking CUDA version reported by nvcc	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Fix gro file output with index groups	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Add tests for editconf file conversion with indexing	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Fix gro file output with index groups	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Remove leftover support for pre-9.0 CUDA	commit \| commitdiff \| tree
2019-09-25	Mark Abraham	Fix log file flag output	commit \| commitdiff \| tree
2019-09-24	Mark Abraham	Fix no-MPI CUDA build	commit \| commitdiff \| tree
2019-09-24	Mark Abraham	Merge "Merge branch release-2019 into master"	commit \| commitdiff \| tree
2019-09-24	Mark Abraham	Fix clang unused-function warnings	commit \| commitdiff \| tree
2019-09-23	Mark Abraham	Fixes to broken CUDA compiler flags	commit \| commitdiff \| tree
2019-09-23	Mark Abraham	Fix 1D-1pulse support	commit \| commitdiff \| tree
2019-09-20	Mark Abraham	Refactor to create a GpuTaskAssignments object	commit \| commitdiff \| tree
2019-09-19	Mark Abraham	Use GPU halo exchange only when compatible DD is available	commit \| commitdiff \| tree
2019-09-19	Mark Abraham	Further improve getDDGridSetup	commit \| commitdiff \| tree
2019-09-16	Mark Abraham	Avoid short-range GPU operations with no work	commit \| commitdiff \| tree
2019-09-12	Mark Abraham	Disable report-methods end-to-end test	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Make gmx_multisim_t a C++ object	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Fix multi-sim restart handling in corner cases	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Avoid warning in no-mpi build	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Use more RAII semantics with t_commrec	commit \| commitdiff \| tree
2019-09-06	Mark Abraham	Clean up commrec uniformly	commit \| commitdiff \| tree
2019-09-05	Mark Abraham	Update mdrun test comparison infrastructure	commit \| commitdiff \| tree
2019-09-03	Mark Abraham	Simplify energy-file comparisons in tests	commit \| commitdiff \| tree
2019-09-02	Mark Abraham	Move initialization of clFFT	commit \| commitdiff \| tree
2019-08-30	Mark Abraham	Fix build matrices	commit \| commitdiff \| tree
2019-08-29	Mark Abraham	More quotes	commit \| commitdiff \| tree
2019-08-28	Mark Abraham	Fix integration issues	commit \| commitdiff \| tree
2019-08-28	Mark Abraham	Improved usability of grompp by rejecting more invalid...	commit \| commitdiff \| tree
2019-08-27	Mark Abraham	Add integration tests for exact restarts	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Make FEP rerun tests cover the intended lambda space	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Converted a CUDA config to use clang host-only compilation	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Fix pairlist bug	commit \| commitdiff \| tree
2019-08-23	Mark Abraham	Update clang-tidy to clang version 8	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Merge branch release-2019	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Improve clang-analyzer build time	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Fix release matrix	commit \| commitdiff \| tree
2019-08-21	Mark Abraham	Improve organization of LINCS reporting	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Apply clang-tidy-8 readability-uppercase-literal-suffix	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Use potential-shift as default modifier	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Reduce cosine acceleration quantity properly	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Fix issues for clang-analyzer-8	commit \| commitdiff \| tree
2019-08-19	Mark Abraham	Modernize t_matrix, t_mapping, t_rgb	commit \| commitdiff \| tree
2019-08-19	Mark Abraham	Modernize t_psdata	commit \| commitdiff \| tree
2019-08-16	Mark Abraham	Update testing matrices and fix warnings	commit \| commitdiff \| tree
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