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

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

2017-10-04	Aleksei Iupinov	Remove GPU timing functions superseded by GpuRegionTimer	commit \| commitdiff \| tree \| snapshot
2017-10-04	Berk Hess	Remove a force buffer argument from IForceProvider	commit \| commitdiff \| tree \| snapshot
2017-10-04	Mark Abraham	Enable group-scheme SIMD with GMX_SIMD=AVX2_128	commit \| commitdiff \| tree \| snapshot
2017-10-04	Aleksei Iupinov	Add GpuRegionTimer class	commit \| commitdiff \| tree \| snapshot
2017-10-03	Szilárd Páll	Move Ewald splitting-related code to ewald-utils	commit \| commitdiff \| tree \| snapshot
2017-10-03	Aleksei Iupinov	Bring CUDA texture getters documentation up-to-date	commit \| commitdiff \| tree \| snapshot
2017-10-03	Aleksei Iupinov	Template/move CUDA texture cleanup code from NB CUDA...	commit \| commitdiff \| tree \| snapshot
2017-10-03	Szilárd Páll	Enable compiling CUDA device code with clang	commit \| commitdiff \| tree \| snapshot
2017-10-03	Berk Hess	Move calling of special force functions	commit \| commitdiff \| tree \| snapshot
2017-10-03	Aleksei Iupinov	Add WinAPI page size query for allocator purposes	commit \| commitdiff \| tree \| snapshot
2017-10-03	Magnus Lundborg	Write atom masses and partial charges to TNG	commit \| commitdiff \| tree \| snapshot
2017-10-03	Mark Abraham	Introduce and use AlignedAllocationPolicy	commit \| commitdiff \| tree \| snapshot
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	commit \| commitdiff \| tree \| snapshot
2017-09-28	Szilárd Páll	Correct misplaced CUDA timing event record	commit \| commitdiff \| tree \| snapshot
2017-09-28	tomaskubar	QM/MM: remove optimization and trans. state search	commit \| commitdiff \| tree \| snapshot
2017-09-26	Aleksei Iupinov	Move CUDA texture setup code from NB CUDA module to...	commit \| commitdiff \| tree \| snapshot
2017-09-26	Szilárd Páll	Rename GPU launch/wait cycle counters	commit \| commitdiff \| tree \| snapshot
2017-09-25	Berk Hess	Put rerun state preparation in a function	commit \| commitdiff \| tree \| snapshot
2017-09-25	Berk Hess	Set global state on master rank only	commit \| commitdiff \| tree \| snapshot
2017-09-22	Aleksei Iupinov	Template the CUDA texture setup code on raw value type T	commit \| commitdiff \| tree \| snapshot
2017-09-21	Aleksei Iupinov	Eliminate unused Coulomb correction table size coulomb_...	commit \| commitdiff \| tree \| snapshot
2017-09-21	Aleksei Iupinov	Eliminate duplicate CUDA texture setup code	commit \| commitdiff \| tree \| snapshot
2017-09-20	Berk Hess	Change nbnxn indexing to templates	commit \| commitdiff \| tree \| snapshot
2017-09-19	Roland Schulz	ICC: Disable include path warning	commit \| commitdiff \| tree \| snapshot
2017-09-19	Mark Abraham	Update testing matrices to test with (latest) icc-18	commit \| commitdiff \| tree \| snapshot
2017-09-18	Aleksei Iupinov	Skip GPU reallocation of an empty non-local pairlist	commit \| commitdiff \| tree \| snapshot
2017-09-18	Szilárd Páll	Minor refactoring of CUDA non-bonded kernels	commit \| commitdiff \| tree \| snapshot
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
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