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Adds cut-off checks for triclinic domain decomposition
[alexxy/gromacs.git]
/
src
/
mdlib
/
domdec_setup.c
2014-03-24
Berk Hess
Adds cut-off checks for triclinic domain decomposition
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-18
Christoph Junghans
Merge "Fix g_lie counting last frame twice" into releas...
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2012-06-15
Christoph Junghans
Merge "Work around failure of endianness testing on...
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2012-06-14
Roland Schulz
Merge "Made mdrun more verbose about PME split" into...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-05-31
Mark Abraham
Made mdrun more verbose about PME split
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-16
Roland Schulz
Fixing more clang warnings
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
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2012-04-06
Roland Schulz
Fix domain decomposition setup for >46k cores
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-26
Berk Hess
use separate PME nodes with #nodes>18
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2011-08-25
Carsten Kutzner
Instead of a segv, mdrun now gives an error msg if...
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2011-08-11
Berk Hess
Merge "Make sure that ftell works correctly for files...
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2011-08-10
Berk Hess
removed fatal_error for prime number of nodes when...
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2011-07-11
Mark Abraham
Fix some identifier naming issues in last commit
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2011-07-11
Mark Abraham
Avoided some integer overflows
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-08
hess
mdrun now also generates a fatal error for nnodes with...
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2010-09-08
Berk Hess
improved the automatic choice of the number of PME...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-20
Berk Hess
fixed automated DD/PME grid decomposition choice which...
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2010-07-27
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-27
Berk
finally a proper fix for the PME decomposition choice
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-15
Berk Hess
made mdrun npme guessing work more consistently
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-18
Berk Hess
switched off automatic DD decomposition in z with ewald...
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2010-01-14
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2010-01-14
Berk Hess
updated the PME load estimates for 2D PME
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-08-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-30
kasson
Tool merge
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2009-08-30
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
Per Larsson
Added support for pbc with GB
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2009-06-12
Berk Hess
implemented a low memory usage global to local atom...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
hess
updated for C++ compilation
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2009-05-18
hess
removed cell size limit for 2 cells in dims without PBC
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2009-05-18
hess
implemented vacuum simulations with DD
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2009-01-26
hess
automatic grid setup now can also decompose z with...
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2009-01-26
hess
automatic grid setup now can also decompose z with...
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2008-12-04
hess
Now 0 PME nodes will be used when the PME load is more...
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2008-12-04
hess
Now 0 PME nodes will be used when the PME load is more...
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2008-11-20
hess
added check on triclinic deformation for DD grid choice
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2008-11-20
hess
added check on triclinic deformation for DD grid choice
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2008-09-20
hess
added more to a fatal error message
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2008-09-20
hess
added more to a fatal error message
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2008-09-19
hess
made an error message clearer
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2008-09-19
hess
made an error message clearer
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2008-08-29
hess
fixed the formatting
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2008-08-27
lindahl
Added copyright headers to domdec implementations.
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2008-08-25
hess
implemented automatic dynamic load balancing option
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2008-08-22
hess
implemented automated DD bonded distance cut-off (...
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2008-08-21
hess
implemented special bonded atom communication when...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-03-27
hess
improved the PME nnodes compatibility checking
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2008-03-26
hess
removed the requirement for 3Dfft that nkx should be...
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2008-03-19
hess
added missing include
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2008-03-18
hess
added PME grid extension when npme is set
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