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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
kernel
/
mdrun.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-16
Berk Hess
fixed fatal error in mdrun file appending with -multi...
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2010-07-19
Berk Hess
fixed mdrun append check when requested output file...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-29
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-29
Teemu Murtola
mdrun again prints copyright notice to stderr.
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2010-06-28
Berk Hess
renamed mdrun -cptnum to -cpnum
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2010-06-28
Berk Hess
added mdrun -cptnum option to keep and number checkpoints
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-16
Rossen Apostolov
Small cleanup of the openmm section in mdrun.c
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2010-06-16
Berk Hess
restored the old order of the mdrun option and removed...
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2010-06-16
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-16
Rossen Apostolov
Fixed the command line options for GPU binaries.
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2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-14
David van der Spoel
Added more fixes in comment texts, generously provided...
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2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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2010-06-11
Sander Pronk
Number of threads is now also determined by system...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-04
Carsten Kutzner
fixed file appending for essential dynamics output...
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2010-05-26
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-25
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-24
David van der Spoel
Removed C++ style comments in mdrun.
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-26
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-26
Berk Hess
only master mdrun now prints the output file renaming...
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-04-02
Sander Pronk
Cleaned up the mdrun/main.c thread code a little more.
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2010-04-02
Sander Pronk
Fixed checkpoint continuation bug for thread-parallel...
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2010-04-01
Rossen Apostolov
Minor fixes of typos.
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2010-03-18
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-17
Rossen Apostolov
openmm: some cleanup in md_openmm.c and mdrun.c
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2010-03-15
Sander Pronk
Now auto-detects the number of hardware threads and...
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-11
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-11
Rossen Apostolov
Small fixes in mdrun desc.; enable periodic molecules
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2010-03-11
Szilard Pall
fixed mdrun verbosity with OpenMM build
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2010-03-11
Szilard Pall
fixed a missing comma and a typo in openmm_wrapper
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2010-03-11
Rossen Apostolov
Enalbed -maxh option for usage with OpenMM binaries
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2010-03-11
Rossen Apostolov
Initial porting, do_md_openmm_nopatch.h is used.
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2010-03-08
Berk Hess
made mdrun file appending default and added checks...
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-25
Sander Pronk
Fixed some signal handler issues, moved sighandler...
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2010-02-24
Sander Pronk
More signal fixes - disabled SIGINT on Windows.
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2010-02-16
Berk Hess
mdrun now also checks -npme with non-parallel compilation
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2010-02-01
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-29
Berk Hess
changed mdrun option -resethmaxh to -resethway and...
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2010-01-28
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-28
Berk Hess
added hidden option -resethmaxh to mdrun
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2010-01-14
Berk Hess
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Removed some legacy "#if 0" code.
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2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-16
Erik Lindahl
Manual application of patch 5c076c352b4c8a43b52ab441691...
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2009-12-16
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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2009-12-16
Erik Lindahl
Removed default nice-19 behavior from mdrun even on...
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2009-12-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-09
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
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2009-12-09
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-12-06
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-03
Erik Lindahl
Enabled separate PME nodes(threads) with thread-mpi...
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-09
Berk
Merge branch 'release-4-0-patches' of git@git.gromacs...
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2009-11-06
Berk Hess
added check for MPI support in init_multisystem
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-10-20
Roland Schulz
md5sum and locking for appending of files
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-14
Berk Hess
made mdrun -seppot work again
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2009-10-14
Berk Hess
made mdrun -seppot work again
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2009-10-12
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Carsten Kutzner
cycle counters can now be reset by a (hidden) mdrun...
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2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
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2009-10-07
Berk Hess
fixed hang in MPI call when serial mdrun was called...
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-18
Sander Pronk
Added mainpage.h as the location for the main page...
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2009-09-17
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-16
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-14
Berk Hess
added state_prev to mdrun help text
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