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

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

[alexxy/gromacs.git] / src / programs / mdrun / runner.cpp

2018-02-27	Aleksei Iupinov	Merge branch 'release-2018'	blob \| commitdiff \| raw
2018-02-22	Berk Hess	Simplify mdrun tMPI thread spawning	blob \| commitdiff \| raw \| diff to current
2018-02-16	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-16	Berk Hess	Correct multisim MPI barrier	blob \| commitdiff \| raw \| diff to current
2018-02-16	Mark Abraham	Merge branch release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-02-14	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-13	Mark Abraham	Separate multisim from commrec	blob \| commitdiff \| raw \| diff to current
2018-02-12	Mark Abraham	Remove commrec from hardware detection	blob \| commitdiff \| raw \| diff to current
2018-02-12	Mark Abraham	Analyse threads on node before setting affinities	blob \| commitdiff \| raw \| diff to current
2018-02-09	Aleksei Iupinov	Revert "Enable debug FP exceptions without TPI, not...	blob \| commitdiff \| raw \| diff to current
2018-02-09	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-08	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-08	Aleksei Iupinov	Enable debug FP exceptions without TPI, not with TPI	blob \| commitdiff \| raw \| diff to current
2018-02-08	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-30	Mark Abraham	Replace macros for multi-sim	blob \| commitdiff \| raw \| diff to current
2018-01-25	Mark Abraham	Removed mdrun -multi	blob \| commitdiff \| raw \| diff to current
2018-01-19	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-17	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-17	Berk Hess	Re-enable GPU with walls and 1 energy group	blob \| commitdiff \| raw \| diff to current
2018-01-16	Mark Abraham	Merge "Merge release-2018 into master"	blob \| commitdiff \| raw \| diff to current
2018-01-16	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-01-16	Berk Hess	Avoid mdrun echoing "No option -multi"	blob \| commitdiff \| raw \| diff to current
2018-01-11	Mark Abraham	Announce in user log files that features are deprecated.	blob \| commitdiff \| raw \| diff to current
2018-01-09	Mark Abraham	Deactivate autoselect of PME on GPU on separate rank	blob \| commitdiff \| raw \| diff to current
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-01-04	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-01-03	Mark Abraham	Fix duplicate warning	blob \| commitdiff \| raw \| diff to current
2018-01-03	Erik Lindahl	Don't allow multiple energy groups for GPU runs	blob \| commitdiff \| raw \| diff to current
2017-12-22	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-21	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-12-20	Carsten Kutzner	Destruct MDModules/force providers prior to calling...	blob \| commitdiff \| raw \| diff to current
2017-12-20	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-19	Berk Hess	Make oversubscription warning consistent	blob \| commitdiff \| raw \| diff to current
2017-12-17	Roland Schulz	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-15	Roland Schulz	Remove incorrect/misleading OpenMP message	blob \| commitdiff \| raw \| diff to current
2017-12-12	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-07	Berk Hess	Choose faster nbnxn SIMD kernels on AMD Zen	blob \| commitdiff \| raw \| diff to current
2017-12-05	Aleksei Iupinov	Do not accept unsupported combination "-pme cpu -pmefft...	blob \| commitdiff \| raw \| diff to current
2017-12-05	Mark Abraham	Fix mdrun -nb auto -pme auto when GPUs are absent	blob \| commitdiff \| raw \| diff to current
2017-12-04	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-11-24	Aleksei Iupinov	Destroy PME GPU context	blob \| commitdiff \| raw \| diff to current
2017-11-24	Aleksei Iupinov	Enable separate PME GPU rank	blob \| commitdiff \| raw \| diff to current
2017-11-24	Aleksei Iupinov	Do not call mixed CPU+GPU PME mode "Hybrid"	blob \| commitdiff \| raw \| diff to current
2017-11-24	Aleksei Iupinov	Activate mixed mode of PME on GPU	blob \| commitdiff \| raw \| diff to current
2017-11-24	Mark Abraham	Activate PME on GPUs	blob \| commitdiff \| raw \| diff to current
2017-11-24	Mark Abraham	Separate management of GPU contexts from modules	blob \| commitdiff \| raw \| diff to current
2017-11-24	Mark Abraham	Extend task assignment code	blob \| commitdiff \| raw \| diff to current
2017-11-24	Berk Hess	Limit SMT with PME on GPU	blob \| commitdiff \| raw \| diff to current
2017-11-24	Aleksei Iupinov	Pin coordinates, forces and charges for PME on GPU	blob \| commitdiff \| raw \| diff to current
2017-11-17	Mark Abraham	Use HostAllocationPolicy for chargeA	blob \| commitdiff \| raw \| diff to current
2017-11-16	Berk Hess	Also print 1x1 pair-list setup to log	blob \| commitdiff \| raw \| diff to current
2017-11-09	Mark Abraham	Prepared t_mdatoms for using vector	blob \| commitdiff \| raw \| diff to current
2017-11-02	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-11-01	Mark Abraham	Improve handling of GPU IDs	blob \| commitdiff \| raw \| diff to current
2017-10-31	Mark Abraham	Update treatment of GPU compatibility data structure	blob \| commitdiff \| raw \| diff to current
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	blob \| commitdiff \| raw \| diff to current
2017-10-30	Mark Abraham	Fix and update hw_info	blob \| commitdiff \| raw \| diff to current
2017-10-30	Aleksei Iupinov	Simplify PME data handling in runner	blob \| commitdiff \| raw \| diff to current
2017-10-27	Aleksei Iupinov	Remove defunct PME initialization error code return	blob \| commitdiff \| raw \| diff to current
2017-10-24	Aleksei Iupinov	Move commrec duty checking into simple getters	blob \| commitdiff \| raw \| diff to current
2017-10-21	Berk Hess	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2017-10-21	Aleksei Iupinov	Add calls to the PME GPU stages	blob \| commitdiff \| raw \| diff to current
2017-10-20	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-10-16	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-10-15	Berk Hess	Improve vsite parallel checking	blob \| commitdiff \| raw \| diff to current
2017-10-13	Magnus Lundborg	Do not include headers related to ObservablesHistory	blob \| commitdiff \| raw \| diff to current
2017-10-11	Mark Abraham	Cleaned up ewaldcoeff for PME-only ranks	blob \| commitdiff \| raw \| diff to current
2017-10-09	Aleksei Iupinov	PME GPU/CUDA data framework.	blob \| commitdiff \| raw \| diff to current
2017-10-06	Berk Hess	Add SIMD intrinsics version of simple update	blob \| commitdiff \| raw \| diff to current
2017-10-03	Szilárd Páll	Move Ewald splitting-related code to ewald-utils	blob \| commitdiff \| raw \| diff to current
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	blob \| commitdiff \| raw \| diff to current
2017-09-25	Berk Hess	Set global state on master rank only	blob \| commitdiff \| raw \| diff to current
2017-09-17	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-15	Berk Hess	Remove nb-parameters from t_forcerec	blob \| commitdiff \| raw \| diff to current
2017-09-14	Mark Abraham	Form taskassignment module	blob \| commitdiff \| raw \| diff to current
2017-09-12	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-12	Szilárd Páll	Merge branch 'release-2016'	blob \| commitdiff \| raw \| diff to current
2017-09-07	Mark Abraham	Introduce type-safe GPU emulation variables	blob \| commitdiff \| raw \| diff to current
2017-09-06	Mark Abraham	Prepare Verlet scheme later in runner	blob \| commitdiff \| raw \| diff to current
2017-09-05	Mark Abraham	Fix use of GPU information for thread-MPI setup	blob \| commitdiff \| raw \| diff to current
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-03	Berk Hess	Put mdrun options in structs	blob \| commitdiff \| raw \| diff to current
2017-09-02	Berk Hess	Put all domdec options in a struct	blob \| commitdiff \| raw \| diff to current
2017-09-02	M. Eric Irrgang	make a box parameter const	blob \| commitdiff \| raw \| diff to current
2017-08-30	M. Eric Irrgang	normalize some C header includes	blob \| commitdiff \| raw \| diff to current
2017-08-23	Mark Abraham	Stopped checkpoint influencing parallelism setup	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Run GPU detection even for mdrun -nb cpu	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Fixed thread-MPI with non-default -npme	blob \| commitdiff \| raw \| diff to current
2017-08-22	Berk Hess	Enable dynamic pair list pruning	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-21	Mark Abraham	Moved increase_nstlist() to nbnxn_tuning.h	blob \| commitdiff \| raw \| diff to current
2017-08-17	Mark Abraham	Replace consistency checking with assertion	blob \| commitdiff \| raw \| diff to current
2017-08-16	Berk Hess	Add dynamic pair-list pruning framework	blob \| commitdiff \| raw \| diff to current
2017-08-16	Mark Abraham	Parse user-supplied GPU task assignment only when needed	blob \| commitdiff \| raw \| diff to current
2017-08-16	Mark Abraham	Moved logging functionality into GPU usage report	blob \| commitdiff \| raw \| diff to current
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-10	Mark Abraham	Clarify data flow in GPU task assignment	blob \| commitdiff \| raw \| diff to current
2017-08-06	Mark Abraham	Simplify resource-division efficiency check	blob \| commitdiff \| raw \| diff to current
2017-08-06	Mark Abraham	Split printhardware from detecthardware	blob \| commitdiff \| raw \| diff to current
2017-08-06	Mark Abraham	Decouple task assignment from task execution	blob \| commitdiff \| raw \| diff to current
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