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renamed GMX_THREADS to GMX_THREAD_MPI
[alexxy/gromacs.git]
/
src
/
kernel
/
mdrun.c
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-19
Carsten Kutzner
Enforced rotation
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2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
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2011-10-06
Berk Hess
fixed segv in parallel replica exchange
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2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
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2011-09-15
Berk Hess
mdrun -multi -cpi now checks if simulations parts are...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-20
Sander Pronk
Revert "NUMA aware memory allocators get called (for...
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2011-04-20
Sander Pronk
NUMA aware memory allocators get called (for Windows).
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-23
Justin Lemkul
Tons of small fixes to documentation.
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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-10
Sander Pronk
Added documentation for multidir.
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2011-03-10
Sander Pronk
Added more support for multidir.
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-01-23
Mark Abraham
Improved consistency of text style usage
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2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-11-04
Berk Hess
Fixed md.log being opened twice when appending, which...
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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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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