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

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

2017-09-17	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-09-15	Berk Hess	Remove nb-parameters from t_forcerec	commit \| commitdiff \| tree \| snapshot
2017-09-15	Mark Abraham	Express intent of matrix release build types explicitly	commit \| commitdiff \| tree \| snapshot
2017-09-15	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree \| snapshot
2017-09-15	Mark Abraham	Version 2016.4	commit \| commitdiff \| tree \| snapshot
2017-09-14	Aleksei Iupinov	Fix non-SIMD build failing	commit \| commitdiff \| tree \| snapshot
2017-09-14	Berk Hess	Fix nbnxn SIMD 2xNN PME tabulated kernel	commit \| commitdiff \| tree \| snapshot
2017-09-14	Szilárd Páll	CUDA 9/Volta support for the pruning kernel	commit \| commitdiff \| tree \| snapshot
2017-09-14	Mark Abraham	Form taskassignment module	commit \| commitdiff \| tree \| snapshot
2017-09-14	Mark Abraham	Fix compat module definition	commit \| commitdiff \| tree \| snapshot
2017-09-12	Erik Lindahl	Improve accuracy of SIMD exp for small args	commit \| commitdiff \| tree \| snapshot
2017-09-12	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-09-12	Aleksei Iupinov	Prevent reference XML reader segfault on nullptr error...	commit \| commitdiff \| tree \| snapshot
2017-09-12	Berk Hess	Fix exception in SIMD LJ PME solve	commit \| commitdiff \| tree \| snapshot
2017-09-12	Berk Hess	Do not pass state to init_replica_exchange	commit \| commitdiff \| tree \| snapshot
2017-09-12	Szilárd Páll	Merge branch 'release-2016'	commit \| commitdiff \| tree \| snapshot
2017-09-11	Szilárd Páll	NVIDIA Volta performance tweaks	commit \| commitdiff \| tree \| snapshot
2017-09-11	Berk Hess	Fix PBC bugs in the swap code	commit \| commitdiff \| tree \| snapshot
2017-09-09	Berk Hess	Avoid inf in SIMD double sqrt()	commit \| commitdiff \| tree \| snapshot
2017-09-08	Roland Schulz	Fix compiler warning	commit \| commitdiff \| tree \| snapshot
2017-09-07	Mark Abraham	Introduce type-safe GPU emulation variables	commit \| commitdiff \| tree \| snapshot
2017-09-07	Roland Schulz	Add isIntegralConstant type trait	commit \| commitdiff \| tree \| snapshot
2017-09-07	Mark Abraham	Enable group-scheme SIMD kernels on recent AVX extensions	commit \| commitdiff \| tree \| snapshot
2017-09-07	Berk Hess	Fix FEP state with rerun	commit \| commitdiff \| tree \| snapshot
2017-09-06	Mark Abraham	Prepare Verlet scheme later in runner	commit \| commitdiff \| tree \| snapshot
2017-09-06	Roland Schulz	PME-gather: Use templated functor instead of preprocessor	commit \| commitdiff \| tree \| snapshot
2017-09-05	Christoph Junghans	Supported quiet trajectory-handling I/O	commit \| commitdiff \| tree \| snapshot
2017-09-05	Mark Abraham	Fixes for Solaris	commit \| commitdiff \| tree \| snapshot
2017-09-05	Mark Abraham	Fix use of GPU information for thread-MPI setup	commit \| commitdiff \| tree \| snapshot
2017-09-04	Erik Lindahl	More SIMD math argument checking, added unsafe options	commit \| commitdiff \| tree \| snapshot
2017-09-04	Berk Hess	Fix two nbnxn search indexing bugs	commit \| commitdiff \| tree \| snapshot
2017-09-04	Roland Schulz	Fix accuracy for cvtDouble2Float/cprod	commit \| commitdiff \| tree \| snapshot
2017-09-04	Berk Hess	Consolidate architecture booleans	commit \| commitdiff \| tree \| snapshot
2017-09-04	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-09-04	Bernhard M...	Use cmake's timestamp function	commit \| commitdiff \| tree \| snapshot
2017-09-04	Teemu Murtola	Introduce self-pairs search in nbsearch	commit \| commitdiff \| tree \| snapshot
2017-09-04	Teemu Murtola	Refactor analysis nbsearch tests	commit \| commitdiff \| tree \| snapshot
2017-09-03	Mark Abraham	Fix compiler flags for using MKL	commit \| commitdiff \| tree \| snapshot
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-09-03	Berk Hess	Put mdrun options in structs	commit \| commitdiff \| tree \| snapshot
2017-09-02	M. Eric Irrgang	Remove macro that confuses some debuggers	commit \| commitdiff \| tree \| snapshot
2017-09-02	Berk Hess	Put all domdec options in a struct	commit \| commitdiff \| tree \| snapshot
2017-09-02	Berk Hess	Fix mdrun -nb option pointer	commit \| commitdiff \| tree \| snapshot
2017-09-02	M. Eric Irrgang	make a box parameter const	commit \| commitdiff \| tree \| snapshot
2017-09-01	Berk Hess	Fix mdrun -nb option pointer	commit \| commitdiff \| tree \| snapshot
2017-08-31	Aleksei Iupinov	Bring back space lost in commit e43e83bf	commit \| commitdiff \| tree \| snapshot
2017-08-31	M. Eric Irrgang	Add more git ignores	commit \| commitdiff \| tree \| snapshot
2017-08-30	M. Eric Irrgang	normalize some C header includes	commit \| commitdiff \| tree \| snapshot
2017-08-30	M. Eric Irrgang	small precaution in case *argc == 0	commit \| commitdiff \| tree \| snapshot
2017-08-30	M. Eric Irrgang	Declare an input parameter const	commit \| commitdiff \| tree \| snapshot
2017-08-29	Aleksei Iupinov	Remove leftover function declaration	commit \| commitdiff \| tree \| snapshot
2017-08-29	Aleksei Iupinov	Fix typo	commit \| commitdiff \| tree \| snapshot
2017-08-29	Roland Schulz	Enable missing declarations warning	commit \| commitdiff \| tree \| snapshot
2017-08-29	Szilárd Páll	Fix typo and tweak env var docs	commit \| commitdiff \| tree \| snapshot
2017-08-29	Aleksei Iupinov	Allow passing optional width argument into CUDA shuffle...	commit \| commitdiff \| tree \| snapshot
2017-08-29	Berk Hess	Make pull potential registration thread-safe	commit \| commitdiff \| tree \| snapshot
2017-08-29	Berk Hess	Set default GMX_OPENMP_MAX_THREADS to 64	commit \| commitdiff \| tree \| snapshot
2017-08-29	Szilárd Páll	Avoid division by zero is pruning part calculation	commit \| commitdiff \| tree \| snapshot
2017-08-29	Aleksei Iupinov	Adjust PME LJ solver test input coefficient	commit \| commitdiff \| tree \| snapshot
2017-08-28	Roland Schulz	Enable unused function warning	commit \| commitdiff \| tree \| snapshot
2017-08-28	Erik Lindahl	Improved SIMD test data to use all bits	commit \| commitdiff \| tree \| snapshot
2017-08-28	Berk Hess	Avoid bonded forces loops/timers on inputs with no...	commit \| commitdiff \| tree \| snapshot
2017-08-25	Mark Abraham	Fix flat-bottomed position restraints with multiple...	commit \| commitdiff \| tree \| snapshot
2017-08-23	Mark Abraham	Stopped checkpoint influencing parallelism setup	commit \| commitdiff \| tree \| snapshot
2017-08-22	Mark Abraham	Run GPU detection even for mdrun -nb cpu	commit \| commitdiff \| tree \| snapshot
2017-08-22	Mark Abraham	Fixed thread-MPI with non-default -npme	commit \| commitdiff \| tree \| snapshot
2017-08-22	Mark Abraham	Fix missing declaration of GMX_UNUSED_VALUE	commit \| commitdiff \| tree \| snapshot
2017-08-22	Aleksei Iupinov	Separate PME spread and gather wallcycle counters	commit \| commitdiff \| tree \| snapshot
2017-08-22	Berk Hess	Enable dynamic pair list pruning	commit \| commitdiff \| tree \| snapshot
2017-08-22	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-08-21	Teemu Murtola	Simple union-find structure	commit \| commitdiff \| tree \| snapshot
2017-08-21	Mark Abraham	Moved increase_nstlist() to nbnxn_tuning.h	commit \| commitdiff \| tree \| snapshot
2017-08-21	Aleksei Iupinov	PME solving tests	commit \| commitdiff \| tree \| snapshot
2017-08-21	Mark Abraham	Fix compilation issues with ARM SIMD	commit \| commitdiff \| tree \| snapshot
2017-08-21	Szilárd Páll	Add OpenCL pruning kernels and launch/timing logic	commit \| commitdiff \| tree \| snapshot
2017-08-18	Szilárd Páll	Improve awkward handling of GMX_CUDA_TARGET* help	commit \| commitdiff \| tree \| snapshot
2017-08-18	Vedran Miletić	Improve the "files not present" error message	commit \| commitdiff \| tree \| snapshot
2017-08-18	Szilárd Páll	Add CUDA pruning kernels and launch/timing logic	commit \| commitdiff \| tree \| snapshot
2017-08-18	Berk Hess	Add CPU reference and SIMD pruning kernels	commit \| commitdiff \| tree \| snapshot
2017-08-17	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-08-17	Mark Abraham	Replace consistency checking with assertion	commit \| commitdiff \| tree \| snapshot
2017-08-16	Berk Hess	Add dynamic pair-list pruning framework	commit \| commitdiff \| tree \| snapshot
2017-08-16	Berk Hess	Clean up nbnxn cluster pair addition code	commit \| commitdiff \| tree \| snapshot
2017-08-16	Mark Abraham	Parse user-supplied GPU task assignment only when needed	commit \| commitdiff \| tree \| snapshot
2017-08-16	Mark Abraham	Remove duplicate GPU non-usage hint	commit \| commitdiff \| tree \| snapshot
2017-08-16	Mark Abraham	Moved logging functionality into GPU usage report	commit \| commitdiff \| tree \| snapshot
2017-08-15	Berk Hess	Add OpenMP for orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-08-15	Berk Hess	Use graph with orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-08-15	Vedran Miletić	Migrate some of the terminology pages	commit \| commitdiff \| tree \| snapshot
2017-08-15	Vedran Miletić	Migrate the documentation of the run-time errors	commit \| commitdiff \| tree \| snapshot
2017-08-15	David van der...	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree \| snapshot
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-08-15	Jiri Kraus	CUDA 9/Volta support for the nonbonded module	commit \| commitdiff \| tree \| snapshot
2017-08-15	Mark Abraham	Fix value of Ewald shift	commit \| commitdiff \| tree \| snapshot
2017-08-12	Berk Hess	Remove loop over all atoms in init_mdatoms	commit \| commitdiff \| tree \| snapshot
2017-08-10	Mark Abraham	Clarify data flow in GPU task assignment	commit \| commitdiff \| tree \| snapshot
2017-08-10	Carsten Kutzner	Corrected the PDF manual to reflect that all tools...	commit \| commitdiff \| tree \| snapshot
2017-08-09	Roland Schulz	Use table Ewald for Skylake	commit \| commitdiff \| tree \| snapshot
2017-08-07	Mark Abraham	Fix include dependency for getenv	commit \| commitdiff \| tree \| snapshot
2017-08-07	Mark Abraham	Simplified handling of GPU device IDs	commit \| commitdiff \| tree \| snapshot
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