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Remove broken g_dih tool
2013-01-10
Erik Lindahl
Remove broken g_dih tool
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2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
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2013-01-09
Roland Schulz
Merge "Add check to remove zero Charmm dihedrals" into...
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2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
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2013-01-08
Erik Lindahl
Do not always add -msse2 to release flags for icc
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2013-01-08
Roland Schulz
Merge "Reduce use of monolithic sets of compiler flags...
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2013-01-07
Roland Schulz
Merge "fixed nbnxn AVX-256 Ewald table pointer alignment...
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2013-01-07
Mark Abraham
Reduce use of monolithic sets of compiler flags
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2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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2013-01-07
Berk Hess
fixed nbnxn AVX-256 Ewald table pointer alignment
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2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
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2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into release-4-6
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2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernels...
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2013-01-07
Christoph Junghans
Merge "Make gmx_cpuid.h self-standing." into release-4-6
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2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
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2013-01-04
Mark Abraham
Set CMake module search path at a better time
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2013-01-04
Teemu Murtola
Merge "add an option to not build the template" into...
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2013-01-04
Teemu Murtola
Merge "Add missing defines to PKG_CFLAGS" into release-4-6
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2013-01-04
Teemu Murtola
Merge "Fixed error message for zwitterion residues...
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2013-01-03
Christoph Junghans
add an option to not build the template
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2013-01-03
Christoph Junghans
Add missing defines to PKG_CFLAGS
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2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
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2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
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2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
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2012-12-22
Alexey Shvetsov
[tools] g_sans - add trajectory avereging
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2012-12-22
Mark Abraham
New beta release: 4.6-beta3
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2012-12-22
Christoph Junghans
cmake: mark FFTW_HAVE_{SIMD,AVX} as advanced
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2012-12-22
Roland Schulz
Add missing visibility exports
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2012-12-21
Christoph Junghans
Merge "Remove non-functional compiler override for...
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2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
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2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
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2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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2012-12-20
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
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2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
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2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
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2012-12-20
Christoph Junghans
cmake: added option to disable quotes
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2012-12-20
Michael Shirts
Fixes for andersen temperature control
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2012-12-20
Michael Shirts
Fixes for expanded ensemble and HREPEX
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 acceleration...
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2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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2012-12-19
Mark Abraham
Fix Reference build type
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2012-12-19
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
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2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
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2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
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2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
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2012-12-19
Roland Schulz
Merge "issue error if GPU ID is provided with GPU acc...
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2012-12-18
Christoph Junghans
Merge "Fixes redmine issue #1071" into release-4-6
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2012-12-17
Szilárd Páll
Merge "reduced PLINCS communication with H-bond constraints...
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2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI" into release-4-6
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2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
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2012-12-09
Roland Schulz
Merge "fixed GPU pair-search with GMX_CPU_ACCELERATION...
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2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
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2012-12-06
Roland Schulz
Make SSE4.1 warning clearer
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2012-12-06
Mark Abraham
New beta release: 4.6-beta2
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2012-12-06
Sebastian Fritsch
Re-enable AdResS feature
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2012-12-06
Berk Hess
removed last OpenMP O(nthreads) bottleneck
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2012-12-05
Szilard Pall
first step toward moving OpenMM support to contrib
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2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
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2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
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2012-12-05
Mark Abraham
Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
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2012-12-05
Mark Abraham
Merge "Re-apply -dev version name between beta 1 and...
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2012-12-05
Roland Schulz
Merge "fixed segv in Verlet pair-search with trilinic...
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2012-12-05
Mark Abraham
Merge "Fixed labelling of g_hbond plots" into release-4-6
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2012-12-05
Roland Schulz
Merge "fixed incorrect virial with virtual sites and...
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Szilard Pall
made errors during GPU detection non-fatal
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2012-11-29
Szilard Pall
fix cmake re-running failure introduced by ef1127f
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2012-11-29
Mark Abraham
Merge "Initial commit of new install guide" into release-4-6
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2012-11-29
Mark Abraham
Merge "Bump version to 4.6-beta1" into release-4-6
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2012-11-29
Mark Abraham
Merge "Added .gitignore for kernel generation" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX-256 kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Fixing issue with GPU detection reporting" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX_128_FMA kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Fix: pthread variables were overwritten by gmxManageG...
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2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
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2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
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2012-11-29
Christoph Junghans
Merge "Print error if no thread support is available...
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2012-11-29
Mark Abraham
Refuse to build with clang 3.0
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2012-11-29
Mark Abraham
Add a CMake warning about FFTW with --enable-avx
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2012-11-29
Mark Abraham
Merge "automation for setting GMX_GPU & cmake GPU detection...
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2012-11-29
Szilard Pall
automation for setting GMX_GPU & cmake GPU detection
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2012-11-29
Szilard Pall
don't print nonbonded kernel info with GMX_NO_NONBONDED
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2012-11-29
Mark Abraham
Merge "SSE4.1 double precision kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Double precision SSE2 kernels" into release-4-6
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2012-11-28
Mark Abraham
Merge "Ported back some AVX256 optimizations to SSE2...
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2012-11-28
Erik Lindahl
SSE4.1 double precision kernels
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2012-11-28
Erik Lindahl
Double precision SSE2 kernels
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2012-11-28
Erik Lindahl
Ported back some AVX256 optimizations to SSE2/SSE4...
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2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
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2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
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2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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2012-11-28
Roland Schulz
Fix cpack src ignore rule
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2012-11-28
Erik Lindahl
128-bit AVX kernels, with FMA instructions for Opteron...
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