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Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel" into release-4-6
[alexxy/gromacs.git]
/
src
/
2013-01-11
Erik Lindahl
Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
tree
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commitdiff
2013-01-11
David van der Spoel
Fixes #994 confusion in atomprop.
tree
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commitdiff
2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
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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
Berk Hess
fixed nbnxn no LJ comb.rule AVX256 PME kernel
tree
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commitdiff
2013-01-10
Erik Lindahl
Fixed flop-accounting for periodic improper dihedrals
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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commitdiff
2013-01-10
Roland Schulz
Remove incorrect assert added by 05f9a740
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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
Berk Hess
fixed bug with Verlet + DD + bonded atom communication
tree
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
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commitdiff
2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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
2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
tree
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commitdiff
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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commitdiff
2013-01-09
Justin Lemkul
Corrected gmxcheck output for Gromos96 bonds.
tree
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commitdiff
2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
tree
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commitdiff
2013-01-09
Roland Schulz
Merge "Add check to remove zero Charmm dihedrals" into...
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
2013-01-09
Erik Lindahl
Added work-around for gcc bug in AVX intrinsincs formal...
tree
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commitdiff
2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
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commitdiff
2013-01-08
Roland Schulz
Merge "Reduce use of monolithic sets of compiler flags...
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commitdiff
2013-01-07
Roland Schulz
Merge "fixed nbnxn AVX-256 Ewald table pointer alignmen...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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commitdiff
2013-01-07
Berk Hess
fixed nbnxn AVX-256 Ewald table pointer alignment
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commitdiff
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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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
Christoph Junghans
cmake: remove double-negative quotes logic
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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commitdiff
2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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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
2013-01-05
Justin Lemkul
Removed reference to nonexistent file in g_helix.
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
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commitdiff
2013-01-04
Teemu Murtola
Merge "add an option to not build the template" into...
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commitdiff
2013-01-04
Teemu Murtola
Merge "Add missing defines to PKG_CFLAGS" into release-4-6
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commitdiff
2013-01-04
Teemu Murtola
Merge "Fixed error message for zwitterion residues...
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commitdiff
2013-01-03
Christoph Junghans
Add missing defines to PKG_CFLAGS
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commitdiff
2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
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commitdiff
2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
tree
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commitdiff
2013-01-02
Berk Hess
minor speed-up and code clean-up in nbnxn kernels
tree
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commitdiff
2013-01-02
Szilard Pall
improved reporting of failed affinity setting
tree
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commitdiff
2013-01-01
Michael Shirts
Fixed a bug that with multiple exchanges
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commitdiff
2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
tree
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commitdiff
2012-12-30
Teemu Murtola
Remove non-functional PowerPC invsqrt.
tree
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commitdiff
2012-12-30
Christoph Junghans
cmake: add option to install libmd as libgmxmd
tree
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commitdiff
2012-12-29
Sander Pronk
Thread-MPI fixes for i386 llvm & simplification of...
tree
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commitdiff
2012-12-27
Erik Lindahl
Fixed error message for zwitterion residues
tree
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commitdiff
2012-12-27
Justin Lemkul
Minor fixes to g_angle help description.
tree
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commitdiff
2012-12-22
Alexey Shvetsov
[tools] g_sans - add trajectory avereging
tree
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commitdiff
2012-12-22
Roland Schulz
Add missing visibility exports
tree
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commitdiff
2012-12-21
Christoph Junghans
Merge "Remove non-functional compiler override for...
tree
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commitdiff
2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
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commitdiff
2012-12-20
Szilard Pall
fix incorrect gmx_fatal argument order
tree
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commitdiff
2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
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
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
tree
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commitdiff
2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
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commitdiff
2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
tree
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commitdiff
2012-12-20
Christoph Junghans
cmake: added option to disable quotes
tree
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commitdiff
2012-12-20
Michael Shirts
Fixes for andersen temperature control
tree
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commitdiff
2012-12-20
Michael Shirts
Fixes for expanded ensemble and HREPEX
tree
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commitdiff
2012-12-20
Erik Lindahl
Fixed AVX256 double-precision kernels for gcc
tree
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commitdiff
2012-12-20
Michael Shirts
Fix for the pressure in MTTK with constraints + dispersion
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commitdiff
2012-12-20
Carsten Kutzner
Small fix for g_tune_pme
tree
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commitdiff
2012-12-20
Carsten Kutzner
Essential dynamics: fixed restarts when ED group has...
tree
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commitdiff
2012-12-20
Berk Hess
fixed recent bugs in LINCS for derivatives
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
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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
2012-12-19
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
tree
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commitdiff
2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
tree
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commitdiff
2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
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commitdiff
2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
tree
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commitdiff
2012-12-19
Roland Schulz
Merge "issue error if GPU ID is provided with GPU acc...
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commitdiff
2012-12-18
Christoph Junghans
Merge "Fixes redmine issue #1071" into release-4-6
tree
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commitdiff
2012-12-18
Szilard Pall
issue error if GPU ID is provided with GPU acc. off
tree
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commitdiff
2012-12-18
Berk Hess
renamed gmx_x86_simd_macros.h to gmx_simd_macros.h
tree
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commitdiff
2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
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commitdiff
2012-12-17
Szilárd Páll
Merge "reduced PLINCS communication with H-bond constra...
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commitdiff
2012-12-17
Teemu Murtola
Fix license text printed by programs.
tree
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commitdiff
2012-12-17
Christoph Junghans
Remove the rest of the fortran/power6 acceleration
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commitdiff
2012-12-14
Michael Shirts
Fixes redmine issue #1071
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commitdiff
2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI" into release-4-6
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commitdiff
2012-12-11
Berk Hess
reduced PLINCS communication with H-bond constraints
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commitdiff
2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
tree
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commitdiff
2012-12-09
Roland Schulz
Merge "fixed GPU pair-search with GMX_CPU_ACCELERATION...
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commitdiff
2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
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commitdiff
2012-12-08
Roland Schulz
Fix compilation with PGI
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commitdiff
2012-12-07
Berk Hess
fixed GPU pair-search with GMX_CPU_ACCELERATION=None
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commitdiff
2012-12-06
Mark Abraham
Apply LGPL license to new files
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commitdiff
2012-12-06
Michael Shirts
Removing (inaccurate) virial temperature calc.
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commitdiff
2012-12-06
Sebastian Fritsch
Re-enable AdResS feature
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commitdiff
2012-12-06
Berk Hess
removed last OpenMP O(nthreads) bottleneck
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commitdiff
2012-12-05
Christoph Junghans
fixed obsolete gmx_fatal in OpenMM build
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
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