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time the GPU force clearing async launch overhead
[alexxy/gromacs.git]
/
share
/
2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
tree
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commitdiff
2013-01-11
Christoph Junghans
Merge "Remove incorrect assert added by 05f9a740" into...
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
tree
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commitdiff
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
tree
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
tree
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
tree
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commitdiff
2013-01-10
Erik Lindahl
Revert default rlist/rvdw/rcoulomb to valid values...
tree
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commitdiff
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
tree
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commitdiff
2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
tree
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commitdiff
2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernel...
tree
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commitdiff
2013-01-07
Christoph Junghans
Merge "Make gmx_cpuid.h self-standing." into release-4-6
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "add an option to not build the template" into...
tree
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commitdiff
2013-01-03
Christoph Junghans
add an option to not build the template
tree
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commitdiff
2013-01-03
Justin Lemkul
Fixed format error in online manual.
tree
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commitdiff
2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
tree
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commitdiff
2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
tree
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commitdiff
2012-12-13
Christoph Junghans
Always build template program
tree
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commitdiff
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
tree
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commitdiff
2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
tree
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commitdiff
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
tree
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commitdiff
2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
tree
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commitdiff
2012-11-27
Roland Schulz
Remove CVS files
tree
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commitdiff
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet schem...
tree
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commitdiff
2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
tree
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commitdiff
2012-11-22
Christoph Junghans
improve FindGROMACS.cmake
tree
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commitdiff
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
tree
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commitdiff
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-17
David van der Spoel
Merge "Added grompp warning" into release-4-6
tree
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commitdiff
2012-11-17
David van der Spoel
Merge "Remove rest of the xml support" into release-4-6
tree
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commitdiff
2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
tree
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commitdiff
2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
tree
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commitdiff
2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
tree
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commitdiff
2012-11-10
Mark Abraham
Fix broken manual formatting
tree
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commitdiff
2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
tree
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commitdiff
2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
tree
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commitdiff
2012-11-06
Roland Schulz
Merge "Clarification of mdp_opt, add nstexpand defaults...
tree
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commitdiff
2012-11-06
Berk Hess
Merge "Add option to install libcudart" into release-4-6
tree
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commitdiff
2012-11-06
Michael Shirts
Clarification of mdp_opt, add nstexpand defaults &...
tree
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commitdiff
2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
tree
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commitdiff
2012-11-05
Berk Hess
Merge "updated several things related with OpenMP threa...
tree
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commitdiff
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-10-26
Christoph Junghans
Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...
tree
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commitdiff
2012-10-26
Christoph Junghans
Merge "fix false positive gcc 4.7 warning in libxdrf...
tree
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commitdiff
2012-10-26
David van der Spoel
Merge "Fixed Pulp Fiction quote" into release-4-5-patches
tree
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commitdiff
2012-10-26
Roland Schulz
Merge "set the default for nstdhdl to 100" into release-4-6
tree
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commitdiff
2012-10-26
Berk Hess
set the default for nstdhdl to 100
tree
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commitdiff
2012-10-17
Roland Schulz
Fixed Pulp Fiction quote
tree
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commitdiff
2012-10-17
Kasson
Merge "Make Gromacs compile without C++ compiler" into...
tree
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commitdiff
2012-10-08
Berk Hess
made non-bonded potential shifts mdp options
tree
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commitdiff
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
tree
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commitdiff
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
tree
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commitdiff
2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
tree
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commitdiff
2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
tree
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commitdiff
2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
tree
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commitdiff
2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
tree
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commitdiff
2012-09-07
David van der Spoel
Adapted NMR related data to new pdb format.
tree
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commitdiff
2012-09-06
Roland Schulz
Merge "Fixed .g96 trajectory reading." into release...
tree
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commitdiff
2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
tree
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commitdiff
2012-09-04
David van der Spoel
Made tutorial slightly less confusing.
tree
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commitdiff
2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
tree
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commitdiff
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-08-28
Mark Abraham
Document correct comm_mode option
tree
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commitdiff
2012-08-22
Bogdan Iorga
Added PGLU entry in aminoacids.n.tdb for OPLS-AA.
tree
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commitdiff
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
tree
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commitdiff
2012-08-11
Mark Abraham
Fixing of things associated with aminoacid.rtp header
tree
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commitdiff
2012-08-10
Mark Abraham
Added TIP4P back into CHARMM27
tree
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commitdiff
2012-08-05
Roland Schulz
Remove share/tutor
tree
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
tree
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commitdiff
2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
tree
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commitdiff
2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
tree
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commitdiff
2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
tree
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commitdiff
2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
tree
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commitdiff
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
tree
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commitdiff
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
tree
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commitdiff
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
tree
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commitdiff
2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
tree
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commitdiff
2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
tree
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commitdiff
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Szilard Pall
Corrected fourierspacing description
tree
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commitdiff
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