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

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

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

2018-10-16	Mark Abraham	Task assignment for bonded interactions on CUDA GPUs	blob \| commitdiff \| raw
2018-10-15	Mark Abraham	De-duplicating mdrun setup	blob \| commitdiff \| raw \| diff to current
2018-10-15	M. Eric Irrgang	Preparation for de-duplicating mdrun setup	blob \| commitdiff \| raw \| diff to current
2018-10-13	Mark Abraham	Deprecate various functionality in GROMACS 2019	blob \| commitdiff \| raw \| diff to current
2018-10-11	Mark Abraham	Open mdrun log file only once	blob \| commitdiff \| raw \| diff to current
2018-10-03	M. Eric Irrgang	Move mdrun mainFunction to client code.	blob \| commitdiff \| raw \| diff to current
2018-09-26	Mark Abraham	Clarify distinct paths for mdrun log file handling	blob \| commitdiff \| raw \| diff to current
2018-09-13	Mark Abraham	Eliminate main.h	blob \| commitdiff \| raw \| diff to current
2018-09-10	Roland Schulz	Replace rounding using int(x+0.5) with roundToInt	blob \| commitdiff \| raw \| diff to current
2018-08-29	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-24	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	clang-tidy: google tests applicable	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	Enable clang tidy/warnings for tests	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-05-03	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-04-13	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-04-05	Mark Abraham	Create gromacs/mdrun module and move code there	blob \| commitdiff \| raw \| diff to current
2018-03-28	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-03-20	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-03-13	Mark Abraham	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-03-06	Berk Hess	Convert t_filenm to C++	blob \| commitdiff \| raw \| diff to current
2018-03-06	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-27	Aleksei Iupinov	Merge branch 'release-2018'	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	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
2018-02-09	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	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-25	Mark Abraham	Removed mdrun -multi	blob \| commitdiff \| raw \| diff to current
2018-01-17	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-16	Berk Hess	Avoid mdrun echoing "No option -multi"	blob \| commitdiff \| raw \| diff to current
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	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	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-12	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-04	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-04	Berk Hess	Update mdrun signal help text	blob \| commitdiff \| raw \| diff to current
2017-11-27	Berk Hess	Enable auto thread pinning with thread limiting	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	Extend task assignment code	blob \| commitdiff \| raw \| diff to current
2017-11-02	Mark Abraham	Merge branch release-2016	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
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	blob \| commitdiff \| raw \| diff to current
2017-09-17	Mark Abraham	Merge branch release-2016	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
2017-09-03	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
2017-09-01	Berk Hess	Fix mdrun -nb option pointer	blob \| commitdiff \| raw \| diff to current
2017-08-30	M. Eric Irrgang	normalize some C header includes	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-17	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	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
2017-08-01	Mark Abraham	Introduced Mdrunner high-level class	blob \| commitdiff \| raw \| diff to current
2017-07-13	Mark Abraham	Clean up gmx_mdrun()	blob \| commitdiff \| raw \| diff to current
2017-06-28	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-06-27	Roland Schulz	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-06-21	Mark Abraham	Remove bUserSetGpuIds field	blob \| commitdiff \| raw \| diff to current
2017-06-12	Berk Hess	Disable PME tuning with the group scheme	blob \| commitdiff \| raw \| diff to current
2017-06-10	Berk Hess	Put replica exchange parameters in a struct	blob \| commitdiff \| raw \| diff to current
2017-05-09	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-11	Roland Schulz	Tidy: modernize-use-nullptr	blob \| commitdiff \| raw \| diff to current
2017-01-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-20	Gerrit Code Review	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2016-12-20	Mark Abraham	Sanitize some include headers	blob \| commitdiff \| raw \| diff to current
2016-12-20	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-12	Teemu Murtola	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-08	Berk Hess	Made mdrun -pforce terminate with non-finite forces	blob \| commitdiff \| raw \| diff to current
2016-12-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-09	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-16	Berk Hess	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-12	Teemu Murtola	Fix various memory leaks	blob \| commitdiff \| raw \| diff to current
2016-09-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-02	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-08-24	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-29	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-12	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-09	Erik Lindahl	Prevent fragile use cases of checkpoint appending	blob \| commitdiff \| raw \| diff to current
2016-07-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-30	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-27	Mark Abraham	Removed unnecessary inter-simulation signalling	blob \| commitdiff \| raw \| diff to current
2016-06-27	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-23	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-22	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
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