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Merge branch 'release-4-5-patches' into rotation-4-5
[alexxy/gromacs.git]
/
src
/
tools
/
gmx_tune_pme.c
2010-11-04
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-22
Sander Pronk
Added missing includes to gmx_tune_pme.c
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2010-09-22
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-20
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-17
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-14
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-08-30
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-08-27
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-25
Erik Lindahl
Made sure all source files have some copyright header...
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2010-07-29
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-28
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-26
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-23
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-22
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-21
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-21
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-20
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-19
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-19
Berk Hess
fixed mdrun append check when requested output file...
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2010-07-16
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-12
Carsten Kutzner
g_tune_pme now recalculates scaling factors from actual...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-06
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-05
Berk Hess
removed a lot of slow FFT grid sizes from calc_grid...
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-05
Sander Pronk
More thread_mpi fixes.
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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
Carsten Kutzner
add -cpnum support to g_tune_pme
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2010-06-28
Carsten Kutzner
moved error-check after logfile parsing
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2010-06-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-27
David van der Spoel
Fixed many issues regarding to compilation with C+...
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-25
Carsten Kutzner
Parse stderr of tuning runs to catch fatal errors which...
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2010-06-25
Carsten Kutzner
hidden -passall option can be used to add extra strings...
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Carsten Kutzner
speed up tuning for large numbers of processes
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2010-06-24
Carsten Kutzner
try to avoid weird PME/PP combinations in g_tune_pme
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-22
Carsten Kutzner
g_tune_pme now also updates rlistlong etc.
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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2010-06-21
Carsten Kutzner
g_tune_pme: add option to choose how nprocs is passed...
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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
Carsten Kutzner
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-17
Carsten Kutzner
fixed tuning for loadleveler and updated it to modified...
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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
Carsten Kutzner
fixed g_tune_pme for the use with IBM's poe
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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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2010-06-09
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
Carsten Kutzner
removed todo item
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2010-06-04
Carsten Kutzner
fixed tuning with checkpoint files
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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 -deffnm option for g_tune_pme
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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-11
Erik Marklund
Merge branch 'master' into hbond
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2010-05-11
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Sander Pronk
Made gmx_tune_pme work with threaded mdrun.
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2010-04-29
Carsten Kutzner
Enforced rotation: started to implement mass-weighted...
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-09
Berk Hess
minor fixes for last checkpoint update
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-24
Sander Pronk
More signal fixes - disabled SIGINT on Windows.
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2010-02-02
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-19
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-18
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-15
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-09
Carsten Kutzner
Enforced rotation: Make g_tune_pme aware of rotation...
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-01
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Roland Schulz
close all files with ffclose which are opened with...
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-30
Carsten Kutzner
g_tune_pme now does proper cleanup also with pull simul...
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-23
Carsten Kutzner
Merge branch 'master' into rotation
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2009-10-21
Carsten Kutzner
g_tune_pme now also accepts < 3 nodes, also outputs...
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