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

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

[alexxy/gromacs.git] / src / tools / gmx_tune_pme.c

2011-02-25	Carsten Kutzner	Corrected output of a warning message.	blob \| commitdiff \| raw
2011-02-25	Carsten Kutzner	Added the -fix option to g_tune_pme for tuning of rcoul...	blob \| commitdiff \| raw \| diff to current
2011-01-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-23	Mark Abraham	Improved consistency of text style usage	blob \| commitdiff \| raw \| diff to current
2010-09-22	Sander Pronk	Added missing includes to gmx_tune_pme.c	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-25	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Erik Lindahl	Made sure all source files have some copyright header...	blob \| commitdiff \| raw \| diff to current
2010-07-19	Berk Hess	fixed mdrun append check when requested output file...	blob \| commitdiff \| raw \| diff to current
2010-07-12	Carsten Kutzner	g_tune_pme now recalculates scaling factors from actual...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-08	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-07	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Berk Hess	removed a lot of slow FFT grid sizes from calc_grid...	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Sander Pronk	More thread_mpi fixes.	blob \| commitdiff \| raw \| diff to current
2010-06-30	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-29	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-29	Carsten Kutzner	add -cpnum support to g_tune_pme	blob \| commitdiff \| raw \| diff to current
2010-06-28	Carsten Kutzner	moved error-check after logfile parsing	blob \| commitdiff \| raw \| diff to current
2010-06-27	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-27	David van der Spoel	Fixed many issues regarding to compilation with C+...	blob \| commitdiff \| raw \| diff to current
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-25	Carsten Kutzner	Parse stderr of tuning runs to catch fatal errors which...	blob \| commitdiff \| raw \| diff to current
2010-06-25	Carsten Kutzner	hidden -passall option can be used to add extra strings...	blob \| commitdiff \| raw \| diff to current
2010-06-24	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Carsten Kutzner	speed up tuning for large numbers of processes	blob \| commitdiff \| raw \| diff to current
2010-06-24	Carsten Kutzner	try to avoid weird PME/PP combinations in g_tune_pme	blob \| commitdiff \| raw \| diff to current
2010-06-23	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-22	Carsten Kutzner	g_tune_pme now also updates rlistlong etc.	blob \| commitdiff \| raw \| diff to current
2010-06-22	Sander Pronk	Most (if not all) file operations are now thread safe.	blob \| commitdiff \| raw \| diff to current
2010-06-21	Carsten Kutzner	g_tune_pme: add option to choose how nprocs is passed...	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Carsten Kutzner	fixed tuning for loadleveler and updated it to modified...	blob \| commitdiff \| raw \| diff to current
2010-06-17	Per Larsson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-16	Carsten Kutzner	fixed g_tune_pme for the use with IBM's poe	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Added more fixes in comment texts, generously provided...	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Carsten Kutzner	removed todo item	blob \| commitdiff \| raw \| diff to current
2010-06-04	Carsten Kutzner	fixed tuning with checkpoint files	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Carsten Kutzner	fixed -deffnm option for g_tune_pme	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merge branch 'master' into hbond	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-10	Sander Pronk	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-10	Sander Pronk	Made gmx_tune_pme work with threaded mdrun.	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-03-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-09	Berk Hess	minor fixes for last checkpoint update	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-24	Sander Pronk	More signal fixes - disabled SIGINT on Windows.	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-02	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-01	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-30	Roland Schulz	close all files with ffclose which are opened with...	blob \| commitdiff \| raw \| diff to current
2009-11-30	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-30	Carsten Kutzner	g_tune_pme now does proper cleanup also with pull simul...	blob \| commitdiff \| raw \| diff to current
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-25	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-21	Carsten Kutzner	g_tune_pme now also accepts < 3 nodes, also outputs...	blob \| commitdiff \| raw \| diff to current
2009-10-21	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-12	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-12	Carsten Kutzner	cycle counters can now be reset by a (hidden) mdrun...	blob \| commitdiff \| raw \| diff to current
2009-09-27	Erik Lindahl	Disabled prestepping in gmx_tune_pme, since it relies...	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-17	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-16	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-16	Carsten Kutzner	Fixed format conversions in gmx_tune_pme.c	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-07	Roland Schulz	renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-08-11	Per Larsson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-11	Carsten Kutzner	Fixed uninitialized variable in gmx_tune_pme.c	blob \| commitdiff \| raw \| diff to current
2009-07-16	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-16	Carsten Kutzner	Check md.log to ensure GMX_RESET_COUNTERS was passed...	blob \| commitdiff \| raw \| diff to current
2009-07-15	Carsten Kutzner	Check whether mpirun accepts -x option	blob \| commitdiff \| raw \| diff to current
2009-07-15	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-15	Carsten Kutzner	Several improvements to gmx_tune_pme	blob \| commitdiff \| raw \| diff to current
2009-07-04	Sander Pronk	file names now const correct; builds in C++	blob \| commitdiff \| raw \| diff to current
2009-06-30	Sander Pronk	added output_env_t type for querying time scales, and...	blob \| commitdiff \| raw \| diff to current
2009-06-24	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-24	Sander Pronk	Many thread-safety fixes in mdlib; better error reporti...	blob \| commitdiff \| raw \| diff to current
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