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

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2020-08-17	Mark Abraham	Support oneAPI in gitlab CI	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Stopped using images in biophysics Docker repository	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Avoid builds with RelWithDebInfo	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Fix isHostMemoryPinned for changes in CUDA 11.0	commit \| commitdiff \| tree
2020-08-12	Mark Abraham	Revert to CUDA 10 image for CI	commit \| commitdiff \| tree
2020-08-07	Mark Abraham	Fix release build warning	commit \| commitdiff \| tree
2020-08-06	Mark Abraham	Keep all the infra and the user happy	commit \| commitdiff \| tree
2020-08-06	Mark Abraham	Update minimum tested CUDA to 11.0	commit \| commitdiff \| tree
2020-07-31	Mark Abraham	Move code to prepare for multisim class	commit \| commitdiff \| tree
2020-07-31	Mark Abraham	Release configs were using a wrong build type	commit \| commitdiff \| tree
2020-07-27	Mark Abraham	Fix warnings in release builds	commit \| commitdiff \| tree
2020-07-27	Mark Abraham	Fix RDTSCP handling	commit \| commitdiff \| tree
2020-07-15	Mark Abraham	Divide default communicator from DD communicators	commit \| commitdiff \| tree
2020-07-08	Mark Abraham	Fix issues found with clang-tidy	commit \| commitdiff \| tree
2020-06-25	Mark Abraham	Restored the comment	commit \| commitdiff \| tree
2020-06-23	Mark Abraham	WIP: Finish removing compile_cpp_as_cuda	commit \| commitdiff \| tree
2020-06-01	Mark Abraham	Fix atomics configure test	commit \| commitdiff \| tree
2020-05-29	Mark Abraham	Make Cygwin build work	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Remove bundled FindCUDA.cmake	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Fix compiler flag reporting	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Update cmake version for docs container	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Baseline commit	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Fixed several clang-tidy issues	commit \| commitdiff \| tree
2020-04-27	Mark Abraham	Improved some logic in do_force	commit \| commitdiff \| tree
2020-04-25	Mark Abraham	Move configuration of global headers	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Mark HWLOC cmake cache variable as advanced	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-21	Mark Abraham	Fix warnings with clang 9	commit \| commitdiff \| tree
2020-04-16	Mark Abraham	Introduce GMX_USE_SIMD_KERNELS cmake option	commit \| commitdiff \| tree
2020-04-14	Mark Abraham	Fix more clang warnings	commit \| commitdiff \| tree
2020-04-13	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Removed unused variable in force table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Finish removing ENCAD shifts and table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Update to clang-tidy-9	commit \| commitdiff \| tree
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
2020-04-01	Mark Abraham	Fix minor bug with tools time-unit conversions	commit \| commitdiff \| tree
2020-03-30	Mark Abraham	Set buffers appropriately so .xpm files can be read.	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
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