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

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

2017-11-24	Aleksei Iupinov	Enable separate PME GPU rank	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Do not call mixed CPU+GPU PME mode "Hybrid"	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Activate mixed mode of PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Disabled CUDA timings	commit \| commitdiff \| tree \| snapshot
2017-11-24	Szilárd Páll	Add GPU sharing post-submit config	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Update developer guide	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Activate PME on GPUs	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Remove outdated (already implemented) pinning TODO	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Speed up nbnxn buffer clearing	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Separate management of GPU contexts from modules	commit \| commitdiff \| tree \| snapshot
2017-11-24	Erik Lindahl	Detect AVX-512 FMA units to choose best SIMD	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Add PME integration test	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Extend task assignment code	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Mention gmx_install_headers() in the developer manual	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Make FFT real-space grid use CUDA pinning for mixed...	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Limit SMT with PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Pin coordinates, forces and charges for PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-23	Berk Hess	Update note in manual on SD	commit \| commitdiff \| tree \| snapshot
2017-11-23	Berk Hess	Correct PME GPU timing naming	commit \| commitdiff \| tree \| snapshot
2017-11-23	Szilárd Páll	Move GPU FFT/gather launch after GPU nonbondeds	commit \| commitdiff \| tree \| snapshot
2017-11-22	Pascal Merz	Proof of concept: Physical validation suite	commit \| commitdiff \| tree \| snapshot
2017-11-22	Viveca Lindahl	Fixed typo and adds corrects units in the friction...	commit \| commitdiff \| tree \| snapshot
2017-11-22	Viveca Lindahl	Added friction tensor to AWH manual section	commit \| commitdiff \| tree \| snapshot
2017-11-21	Mark Abraham	Use much less PaddedRVecVector and more ArrayRef of...	commit \| commitdiff \| tree \| snapshot
2017-11-21	Aleksei Iupinov	Fix CUDA release build warning	commit \| commitdiff \| tree \| snapshot
2017-11-21	Aleksei Iupinov	Fix pinned memory status checker tests	commit \| commitdiff \| tree \| snapshot
2017-11-21	Erik Lindahl	Separate SIMD flag detection from management	commit \| commitdiff \| tree \| snapshot
2017-11-21	Mark Abraham	Support pinning in HostAllocator	commit \| commitdiff \| tree \| snapshot
2017-11-21	Viveca Lindahl	Add force correlation to AWH module	commit \| commitdiff \| tree \| snapshot
2017-11-21	Paul Bauer	First general additions to the documentation	commit \| commitdiff \| tree \| snapshot
2017-11-20	Viveca Lindahl	Add reading and writing to AWH module	commit \| commitdiff \| tree \| snapshot
2017-11-20	Berk Hess	Prevent PME tuning excessive grid scaling	commit \| commitdiff \| tree \| snapshot
2017-11-20	Mark Abraham	Fix nightly matrix config	commit \| commitdiff \| tree \| snapshot
2017-11-19	Berk Hess	Add SIMD for AWH	commit \| commitdiff \| tree \| snapshot
2017-11-19	Viveca Lindahl	Add AWH section to manual.	commit \| commitdiff \| tree \| snapshot
2017-11-19	Viveca Lindahl	Add AWH biasing module + tests	commit \| commitdiff \| tree \| snapshot
2017-11-19	Mark Abraham	Fix FindCUDA.cmake for -Wundef	commit \| commitdiff \| tree \| snapshot
2017-11-18	Magnus Lundborg	Added Magnus Lundborg as contributor in the manual.	commit \| commitdiff \| tree \| snapshot
2017-11-18	Aleksei Iupinov	Asynchronous CUDA transfers are asserted to always...	commit \| commitdiff \| tree \| snapshot
2017-11-17	Mark Abraham	Use HostAllocationPolicy for chargeA	commit \| commitdiff \| tree \| snapshot
2017-11-17	Mark Abraham	Add checking function for whether a buffer is pinned	commit \| commitdiff \| tree \| snapshot
2017-11-17	Mark Abraham	Improve handling of PME GPU force buffer	commit \| commitdiff \| tree \| snapshot
2017-11-17	Aleksei Iupinov	Make gpu_utils-test build with GMX_CLANG_CUDA	commit \| commitdiff \| tree \| snapshot
2017-11-16	Berk Hess	Also print 1x1 pair-list setup to log	commit \| commitdiff \| tree \| snapshot
2017-11-15	Aleksei Iupinov	Rename and expose "generic" GPU memory transfer functions	commit \| commitdiff \| tree \| snapshot
2017-11-12	Erik Lindahl	Only issue FFT warning messages on changes	commit \| commitdiff \| tree \| snapshot
2017-11-10	Roland Schulz	PME-gather: 4xN SIMD	commit \| commitdiff \| tree \| snapshot
2017-11-10	Mark Abraham	Import cmake Modules/FindCUDA.cmake	commit \| commitdiff \| tree \| snapshot
2017-11-10	Roland Schulz	Rename load1DualHsimd to loadU1DualHsimd	commit \| commitdiff \| tree \| snapshot
2017-11-10	Roland Schulz	AVX: Improve load1DualHsimd	commit \| commitdiff \| tree \| snapshot
2017-11-10	Roland Schulz	Revert "Use -mavx2 -mfma instead of -march with AVX2"	commit \| commitdiff \| tree \| snapshot
2017-11-09	Aleksei Iupinov	Rename synchronous GPU transfer functions to match...	commit \| commitdiff \| tree \| snapshot
2017-11-09	Mark Abraham	Prepared t_mdatoms for using vector	commit \| commitdiff \| tree \| snapshot
2017-11-09	Mark Abraham	Introduce HostAllocationPolicy	commit \| commitdiff \| tree \| snapshot
2017-11-09	Roland Schulz	ICC should use ZMM if code anyhow uses ZMM	commit \| commitdiff \| tree \| snapshot
2017-11-08	Roland Schulz	Fix scalar blend	commit \| commitdiff \| tree \| snapshot
2017-11-08	Magnus Lundborg	Update to TNG v 1.8.1	commit \| commitdiff \| tree \| snapshot
2017-11-07	Szilárd Páll	Use -mavx2 -mfma instead of -march with AVX2	commit \| commitdiff \| tree \| snapshot
2017-11-07	Mark Abraham	Reform gmx_pme_pp alloc and use vector	commit \| commitdiff \| tree \| snapshot
2017-11-07	Mark Abraham	Introduce gmxopencl.h	commit \| commitdiff \| tree \| snapshot
2017-11-07	Szilárd Páll	Merge common nbnxn CUDA/OpenCL GPU wait code-paths	commit \| commitdiff \| tree \| snapshot
2017-11-07	Mark Abraham	Test clang on ARM in nightly matrix	commit \| commitdiff \| tree \| snapshot
2017-11-07	Szilárd Páll	Add wallcycle timer for the PME GPU F reduction	commit \| commitdiff \| tree \| snapshot
2017-11-07	Szilárd Páll	Split off nbnxn GPU timing and staging reduction	commit \| commitdiff \| tree \| snapshot
2017-11-07	Mark Abraham	Improve PME includes	commit \| commitdiff \| tree \| snapshot
2017-11-07	Szilárd Páll	Deduplicate CUDA and OpenCL timer struct	commit \| commitdiff \| tree \| snapshot
2017-11-06	David van der...	Fixed check for water in gen_vsite.cpp	commit \| commitdiff \| tree \| snapshot
2017-11-03	Mark Abraham	Merge "Merge branch release-2016"	commit \| commitdiff \| tree \| snapshot
2017-11-02	Berk Hess	Fix Ekin at step 0 with COM removal	commit \| commitdiff \| tree \| snapshot
2017-11-02	David van der...	New mdp input for electric fields.	commit \| commitdiff \| tree \| snapshot
2017-11-02	Aleksei Iupinov	Replace math.h by cmath includes in cpp files	commit \| commitdiff \| tree \| snapshot
2017-11-02	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-11-02	Berk Hess	Add missing Ewald correction for pme-user	commit \| commitdiff \| tree \| snapshot
2017-11-01	Paul Bauer	Small change to LaTeX manual generation	commit \| commitdiff \| tree \| snapshot
2017-11-01	Mark Abraham	Fix thread-MPI rank choice for orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-11-01	Aleksei Iupinov	Remove unused PME GPU declarations	commit \| commitdiff \| tree \| snapshot
2017-11-01	Aleksei Iupinov	Move pme_gpu_finish_computation() documentation to...	commit \| commitdiff \| tree \| snapshot
2017-11-01	Paul Bauer	Fixing missing references in web documentation	commit \| commitdiff \| tree \| snapshot
2017-11-01	Aleksei Iupinov	Fix erroneous PME GPU "step" namings	commit \| commitdiff \| tree \| snapshot
2017-11-01	Mark Abraham	Improve handling of GPU IDs	commit \| commitdiff \| tree \| snapshot
2017-11-01	Aleksei Iupinov	Simplify PME GPU synchronization code	commit \| commitdiff \| tree \| snapshot
2017-10-31	Aleksei Iupinov	Reuse epbcXY logic	commit \| commitdiff \| tree \| snapshot
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	commit \| commitdiff \| tree \| snapshot
2017-10-31	Szilárd Páll	Check CUDA available/compiled code compatibility	commit \| commitdiff \| tree \| snapshot
2017-10-31	Mark Abraham	Update treatment of GPU compatibility data structure	commit \| commitdiff \| tree \| snapshot
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	commit \| commitdiff \| tree \| snapshot
2017-10-30	David van der...	Fixed mdp output from electric field code.	commit \| commitdiff \| tree \| snapshot
2017-10-30	Aleksei Iupinov	Fix reference mode build unused function warnings	commit \| commitdiff \| tree \| snapshot
2017-10-30	Berk Hess	Remove unused sign parameter from dih_angle()	commit \| commitdiff \| tree \| snapshot
2017-10-30	Roland Schulz	ArrayRef: Replace fromVector with subArray	commit \| commitdiff \| tree \| snapshot
2017-10-30	David van der...	Added option -water tips3p to pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2017-10-30	Aleksei Iupinov	Bring PME GPU/CUDA internal structure names to CamelCase	commit \| commitdiff \| tree \| snapshot
2017-10-30	Mark Abraham	Fix and update hw_info	commit \| commitdiff \| tree \| snapshot
2017-10-30	Aleksei Iupinov	Use new/delete for gmx_pme_t	commit \| commitdiff \| tree \| snapshot
2017-10-30	Aleksei Iupinov	Simplify PME data handling in runner	commit \| commitdiff \| tree \| snapshot
2017-10-29	Aleksei Iupinov	Make PME tuning logic more readable	commit \| commitdiff \| tree \| snapshot
2017-10-29	Berk Hess	Remove incorrect comment for CHARMM tips3p	commit \| commitdiff \| tree \| snapshot
2017-10-27	Aleksei Iupinov	Remove unused PME grid dump debug functions	commit \| commitdiff \| tree \| snapshot
2017-10-27	Mark Abraham	Fix hw detection more	commit \| commitdiff \| tree \| snapshot
2017-10-27	Aleksei Iupinov	Replace a few asserts with GMX_ASSERT's	commit \| commitdiff \| tree \| snapshot
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