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alexxy/gromacs.git
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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2012-12-19
Mark Abraham
Removed orphan file
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2012-12-18
Christoph Junghans
Merge "Fixes redmine issue #1071" into release-4-6
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2012-12-18
Szilard Pall
issue error if GPU ID is provided with GPU acc. off
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2012-12-18
Berk Hess
renamed gmx_x86_simd_macros.h to gmx_simd_macros.h
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2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
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2012-12-17
Szilárd Páll
Merge "reduced PLINCS communication with H-bond constra...
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2012-12-17
Teemu Murtola
Fix license text printed by programs.
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2012-12-14
Michael Shirts
Fixes redmine issue #1071
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2012-12-13
Mark Abraham
Fix typo
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2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI" into release-4-6
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2012-12-11
Berk Hess
reduced PLINCS communication with H-bond constraints
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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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2012-12-08
Roland Schulz
Fix compilation with PGI
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2012-12-07
Berk Hess
fixed GPU pair-search with GMX_CPU_ACCELERATION=None
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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
Mark Abraham
Apply LGPL license to new files
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2012-12-06
Mark Abraham
Updates for install guide
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2012-12-06
Michael Shirts
Removing (inaccurate) virial temperature calc.
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2012-12-06
Teemu Murtola
Fix build of template and other external code.
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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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2012-12-06
Mark Abraham
Eliminate confusion from pkgconfig FFTW detection
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2012-12-05
Szilard Pall
don't warn during configuring if no GPUs were found
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2012-12-05
Christoph Junghans
fixed obsolete gmx_fatal in OpenMM build
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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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2012-12-05
Roland Schulz
Remove TEST_TMPI_ATOMICS_ONLY
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2012-12-05
Mark Abraham
Re-apply -dev version name between beta 1 and beta 2
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2012-12-05
Berk Hess
fixed incorrect virial with virtual sites and OpenMP
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2012-12-05
Mark Abraham
Keep FindCUDA quiet when it is not useful
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2012-12-05
Berk Hess
fixed segv in Verlet pair-search with trilinic DD
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2012-12-05
Erik Marklund
Fixed labelling of g_hbond plots
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2012-12-05
Szilard Pall
don't auto-set nvcc host compiler with cmake >2.8.9
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2012-11-30
Szilard Pall
force C++ linking of the gpu_utils
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2012-11-30
Berk Hess
fixed issue with -multi and GPUs
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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 releas...
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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
Initial commit of new install guide
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2012-11-29
Mark Abraham
Bump version to 4.6-beta1
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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
Added .gitignore for kernel generation
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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 relea...
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2012-11-29
Mark Abraham
Merge "Fix: pthread variables were overwritten by gmxMa...
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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
Mark Abraham
Fixing issue with GPU detection reporting
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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 detec...
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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
Berk Hess
fixed thread pinning with mdrun -multi
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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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2012-11-28
Christoph Junghans
Add option to internally build FFTW if selected
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2012-11-28
Roland Schulz
Fix: pthread variables were overwritten by gmxManageGPU
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2012-11-28
Mark Abraham
Merge "extended nbnxn x86 SIMD kernel blendv support...
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2012-11-28
Roland Schulz
Fix CPACK_SOURCE_IGNORE_FILES
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2012-11-28
Szilárd Páll
Merge changes I9b865c4c,Ib709290e into release-4-6
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2012-11-28
Roland Schulz
Print error if no thread support is available
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2012-11-28
Szilard Pall
enable GPU emulation without GPU support
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2012-11-28
Berk Hess
extended nbnxn x86 SIMD kernel blendv support
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2012-11-28
Szilard Pall
use tMPI API for thread affinity setting
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2012-11-28
Sander Pronk
Fixed Windows tMPI_Thread_self().
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2012-11-27
Roland Schulz
Fix Window-GPU build
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2012-11-27
Roland Schulz
Remove CVS files
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2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
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2012-11-27
Michael Shirts
Removes memory allocation from free energy foreign...
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2012-11-27
Roland Schulz
Add visibility defines
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2012-11-27
Erik Lindahl
Merge "Added affinity support check, visibility macros...
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2012-11-27
Erik Lindahl
Merge "fixed bug in nbnxn OpenMP non-bonded force reduc...
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2012-11-27
David van der...
Merge "Merge release-4-5-patches into release-4-6"...
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