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renamed GMX_THREADS to GMX_THREAD_MPI
[alexxy/gromacs.git]
/
src
/
mdlib
/
pme.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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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-12-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-12-21
Berk Hess
pme.c work-around for MPI fatal error in pme with partt...
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-15
Berk Hess
more fixes for TPI with PME, now really fixed bugzilla 590
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2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-08
Berk Hess
made combination of tpi and pme work again in parallel
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2010-10-08
Berk Hess
fixed combination of tpic with pme, pme mesh energy...
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2010-09-09
Mark Abraham
Spelling fix
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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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2010-08-13
hess
fixed apme bug that caused slightly incorrect results...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Berk Hess
reverted the last, non-cosmetic change to pme.c
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2010-08-12
Berk Hess
minor cosmetic changes in pme.c
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2010-08-04
Erik Lindahl
Fixed accuracy issues in gmx_mm_log_ps(), and added...
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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
Berk
fixed bug with PME nodes_x/y > nkx/y
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-21
Berk Hess
fixed typo in fatal_error call
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-18
Erik Marklund
Merge branch 'master' into hbond
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2010-05-18
Berk Hess
implement SSE exp calculation for solve_pme
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2010-05-17
Berk Hess
reordered pme_solve_yzx arguments
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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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2010-05-14
Berk Hess
minor pme_solve virial optimization
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2010-05-14
Berk Hess
fixed segv with mdrun -npme 1
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2010-05-10
Sander Pronk
Restored proper signal handling when PME nodes are...
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2010-05-08
Berk
removed superfluous lines in solve_pme
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2010-05-07
Sander Pronk
Fixed an uninitialized variable in pme.c (solve_pme_yzx).
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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
made PME energy and virial calculation optional
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-05-07
Berk Hess
removed solve_xyz
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-30
Berk
fixed the pme flop counts
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Berk Hess
changed the PME particle communication buffer region...
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-08
Berk Hess
fixed another bug in the last pme slab fix
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2010-04-05
Berk
fixed a bug in the last pme slab fix
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2010-04-04
Berk
fixed several bugs when a particle was exaclty at a...
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2010-03-16
Roland Schulz
Compiles now in serial
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-24
Sander Pronk
Signal handler now listens to SIGINT (ctrl-c).
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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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2010-01-13
Roland Schulz
Merge branch 'tmp' into 2dpme
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2010-01-13
Berk Hess
some more cleaning of pme.c
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2010-01-13
Berk Hess
cleaned up pme.c
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2010-01-12
Berk Hess
made pme work for any number of nodes
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2010-01-11
Berk Hess
made the charge spreading balanced
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2010-01-11
Berk Hess
fixed bug in even grid distribution
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2010-01-07
Berk
implemented even pme grid distribution when nk is not...
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2010-01-07
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2010-01-07
Berk
made 2D pme work for DD decompositions 1 ny nz
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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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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2009-12-19
Michael Shirts
Committing to merge
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
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2009-12-16
Berk Hess
clean-up of the 2d pme code
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2009-12-16
Berk Hess
speed up of pme x redist
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2009-12-16
Berk Hess
made pme spreading, gathering and solve_yzx faster
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2009-12-16
Berk Hess
speed-up of solve_pme_yzx
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2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-15
Berk Hess
merge with master
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2009-12-15
Berk Hess
merged with master
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2009-12-15
Berk Hess
added PME subdivision to cycle counters
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2009-12-09
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
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2009-12-09
Berk Hess
fixed memory allocation issue for 2d pme code used...
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2009-12-09
Berk Hess
Merge commit 'origin/master' into 2dpme
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2009-12-07
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
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2009-12-07
Berk Hess
The pme grid x/y dimensions are now automatically adapt...
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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