Adds cut-off checks for triclinic domain decomposition
[alexxy/gromacs.git] / src / mdlib / domdec_setup.c
2014-03-24 Berk HessAdds cut-off checks for triclinic domain decomposition
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches'
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data...
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-18 Roland SchulzCode beautification with uncrustify
2013-01-18 Mark AbrahamFixing copyright issues and code contributors
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6
2013-01-11 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-03 Roland SchulzMerge release-4-5-patches into release-4-6
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-07-16 Christoph JunghansMerge "Enforced rotation: PBC/restart fix" into release-4-6
2012-07-15 David van der SpoelMerge "Autogenerate gromacs.7 from programs.txt" into...
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-06-18 Christoph JunghansMerge "Fix g_lie counting last frame twice" into releas...
2012-06-15 Christoph JunghansMerge "Work around failure of endianness testing on...
2012-06-14 Roland SchulzMerge "Made mdrun more verbose about PME split" into...
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-06-01 Christoph JunghansMerge "Use External BLAS/LAPACK by default" into releas...
2012-05-31 Mark AbrahamMade mdrun more verbose about PME split
2012-05-24 Teemu MurtolaMerge "Code cleanup to avoid name collisions" into...
2012-05-17 Teemu MurtolaMerge "Fixing more clang warnings" into release-4-6
2012-05-16 Roland SchulzFixing more clang warnings
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"...
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-09 Christoph JunghansMerge "Consolidated documentation of .mdp restraint...
2012-04-06 Roland SchulzFix domain decomposition setup for >46k cores
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6
2012-03-13 Christoph JunghansMerge "Vibration spectra from velocity ACF or Normal...
2012-03-09 Roland SchulzMerge "Improve FindFFTW" into release-4-6
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-02-26 Berk Hessuse separate PME nodes with #nodes>18
2011-08-25 Carsten KutznerInstead of a segv, mdrun now gives an error msg if...
2011-08-11 Berk HessMerge "Make sure that ftell works correctly for files...
2011-08-10 Berk Hessremoved fatal_error for prime number of nodes when...
2011-07-11 Mark AbrahamFix some identifier naming issues in last commit
2011-07-11 Mark AbrahamAvoided some integer overflows
2011-01-30 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2010-09-08 hessmdrun now also generates a fatal error for nnodes with...
2010-09-08 Berk Hessimproved the automatic choice of the number of PME...
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool.
2010-08-21 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-20 Berk Hessfixed automated DD/PME grid decomposition choice which...
2010-07-27 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2010-07-27 Berkfinally a proper fix for the PME decomposition choice
2010-06-09 Gerrit GroenhofMerge branch 'master' into qmmm
2010-05-16 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2010-05-07 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs
2010-05-07 Berk HessMerge commit 'origin/2dpme'
2010-04-30 Berk HessMerge commit 'origin/master' into 2dpme
2010-04-29 Berk HessMerge commit 'origin/master' into 2dpme
2010-04-27 Berk Hessresolved merge conflicts
2010-03-02 Roland SchulzMerge branch 'release-4-0-patches'
2010-02-15 Berk Hessmade mdrun npme guessing work more consistently
2010-01-19 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2010-01-18 Berk Hessswitched off automatic DD decomposition in z with ewald...
2010-01-14 Roland SchulzMerge branch '2dpme' of git@git.gromacs.org:gromacs...
2010-01-14 Berk Hessupdated the PME load estimates for 2D PME
2009-09-09 Michael ShirtsMerge branch 'master' of git://git.gromacs.org/gromacs
2009-08-31 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-08-30 kassonTool merge
2009-08-30 Erik LindahlMerge branch 'master' of git@git.gromacs.org:gromacs
2009-08-27 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2009-08-27 Per LarssonMerge branch 'master' of git@git.gromacs.org:gromacs
2009-08-27 Per LarssonAdded support for pbc with GB
2009-06-12 Berk Hessimplemented a low memory usage global to local atom...
2009-06-04 Erik LindahlRemoved Id tags from master branch since they will...
2009-06-03 hessupdated for C++ compilation
2009-05-18 hessremoved cell size limit for 2 cells in dims without PBC
2009-05-18 hessimplemented vacuum simulations with DD
2009-01-26 hessautomatic grid setup now can also decompose z with...
2009-01-26 hessautomatic grid setup now can also decompose z with...
2008-12-04 hessNow 0 PME nodes will be used when the PME load is more...
2008-12-04 hessNow 0 PME nodes will be used when the PME load is more...
2008-11-20 hessadded check on triclinic deformation for DD grid choice
2008-11-20 hessadded check on triclinic deformation for DD grid choice
2008-09-20 hessadded more to a fatal error message
2008-09-20 hessadded more to a fatal error message
2008-09-19 hessmade an error message clearer
2008-09-19 hessmade an error message clearer
2008-08-29 hessfixed the formatting
2008-08-27 lindahlAdded copyright headers to domdec implementations.
2008-08-25 hessimplemented automatic dynamic load balancing option
2008-08-22 hessimplemented automated DD bonded distance cut-off (...
2008-08-21 hessimplemented special bonded atom communication when...
2008-08-05 hesst_topology is now partially replaced by gmx_mtop_t...
2008-03-27 hessimproved the PME nnodes compatibility checking
2008-03-26 hessremoved the requirement for 3Dfft that nkx should be...
2008-03-19 hessadded missing include
2008-03-18 hessadded PME grid extension when npme is set
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