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alexxy/gromacs.git
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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2012-11-27
Berk Hess
fixed bug in nbnxn OpenMP non-bonded force reduction
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2012-11-27
Sander Pronk
Added affinity support check, visibility macros in...
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2012-11-26
Sander Pronk
Fixed issues with g_bar help text.
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into relea...
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2012-11-26
Erik Lindahl
Merge "Use stat for gmx_is_file. Fix get_libdir with...
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2012-11-26
Berk Hess
made nbnxn analytical Ewald consistent
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2012-11-26
Mark Abraham
Clean up some mathematical constants
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2012-11-26
Sander Pronk
Made the linear extrapolation in g_bar non-default...
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2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
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2012-11-26
David van der...
Fixes #1035 NaN in g_cluster output.
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2012-11-26
Berk Hess
added nbnxn analytical Ewald correction kernels
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2012-11-25
Teemu Murtola
Extended build information output and reference build...
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2012-11-24
Roland Schulz
Use stat for gmx_is_file. Fix get_libdir with symlinks.
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2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet schem...
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2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
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2012-11-23
Roland Schulz
Force C++ linking of the gpu_utils
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2012-11-23
Szilárd Páll
Merge "Updates to CMake treatment of OpenMP" into relea...
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2012-11-23
Szilard Pall
removed group non-boneded call with verlet scheme
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2012-11-23
Mark Abraham
Updates to CMake treatment of OpenMP
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2012-11-23
Roland Schulz
Merge changes I88f0dcef,I86b2a8cf,I70fb7e6d into releas...
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2012-11-22
Erik Lindahl
Fix for icc 13 optimization-related issue and TIP4P...
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2012-11-22
Christoph Junghans
improve FindGROMACS.cmake
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2012-11-22
Erik Lindahl
Implemented RMS-based force tolerance in gmxcheck
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2012-11-22
Erik Lindahl
Fixed LJ-14 error in free energy
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2012-11-22
Mark Abraham
Speed up mdlib compilation by reordering file globs
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2012-11-22
Szilard Pall
unset MPI detection leftover cache variables
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2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
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2012-11-20
Christoph Junghans
Merge "Fixes bug in g_hbond that makes it produce fatal...
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2012-11-20
David van der...
Fixes bug in g_hbond that makes it produce fatal error.
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-19
Roland Schulz
Merge changes Ibc555d88,Iaf6f3051 into release-4-6
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2012-11-19
Mark Abraham
Merge "SSE4.1 single-precision kernels" into release-4-6
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2012-11-19
Mark Abraham
Minor updates to CMake usage
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2012-11-19
Roland Schulz
Add CMAKE_PREFIX_PATH to cmake-gui
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2012-11-19
Erik Lindahl
SSE4.1 single-precision kernels
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2012-11-19
Roland Schulz
Merge "Remove double declaration in headers" into relea...
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2012-11-19
Szilard Pall
always mark as advanced leftover FindCUDA variables
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2012-11-18
Roland Schulz
Fix GMX_TEST_CFLAG bug with acceleration flags
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2012-11-18
Roland Schulz
Fix bugs in gmxCFlags
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2012-11-17
Roland Schulz
Rename remaining GMX_ACCELERATION to GMX_CPU_ACCELERATION
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2012-11-17
Roland Schulz
Remove double declaration in headers
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2012-11-17
David van der...
Merge "Added grompp warning" into release-4-6
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2012-11-17
David van der...
Merge "Remove rest of the xml support" into release-4-6
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2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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2012-11-16
Mark Abraham
Added grompp warning
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2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
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2012-11-16
Christoph Junghans
Remove rest of the xml support
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