biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Added the -fix option to g_tune_pme for tuning of rcoulomb and grid
[alexxy/gromacs.git]
/
src
/
tools
/
gmx_tune_pme.c
2011-02-25
Carsten Kutzner
Added the -fix option to g_tune_pme for tuning of rcoul...
blob
|
commitdiff
|
raw
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
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
next