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alexxy/gromacs.git
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
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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2012-11-16
David van der...
Merge "Removes unused files" into release-4-6
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2012-11-16
Erik Lindahl
SSE2 single-precision kernels
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2012-11-16
Roland Schulz
Removes unused files
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2012-11-16
Berk Hess
reduced the cost of the nbnxn OpenMP nb-force reduction
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2012-11-15
Christoph Junghans
Merge "Test that compiling and linking of AVX works...
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2012-11-15
Roland Schulz
Verify that FFTW can be used with shared libraries
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2012-11-15
Berk Hess
fixed incorrect 1-4 energies with OpenMP + energy groups
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2012-11-14
Roland Schulz
FindFFTW: Keep checking pkg_config until fftw is found
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2012-11-14
Berk Hess
fixed nbnxn x86 SIMD non-bonded performance regression
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2012-11-13
Erik Lindahl
Removed some unnecessary instructions, and fixed a...
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2012-11-12
Roland Schulz
Test that compiling and linking of AVX works
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2012-11-12
Roland Schulz
Allow to disable usage of rdtscp
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2012-11-12
Roland Schulz
Merge "Backport ThreadMPI.cmake version from master...
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2012-11-12
Roland Schulz
Merge "nbnxn CPU force buffer reduction now uses SIMD...
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2012-11-12
Roland Schulz
Backport ThreadMPI.cmake version from master
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2012-11-12
Berk Hess
nbnxn CPU force buffer reduction now uses SIMD
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2012-11-12
David van der...
Fixes #1020 options in g_enemat
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2012-11-11
Roland Schulz
Fix FMA4 compile for GCC and MSVC
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2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
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2012-11-10
Roland Schulz
Fix g_msd -mol
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2012-11-10
Mark Abraham
Fix broken manual formatting
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2012-11-10
Teemu Murtola
Remove obsolete GMX_THREAD_SHM_FDECOMP.
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2012-11-09
Roland Schulz
Fix component for libcudart
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2012-11-09
Erik Lindahl
Removed old (now unused) bluegene kernels.
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2012-11-09
Erik Lindahl
Removed unused old kernel generator
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2012-11-09
Erik Lindahl
Removal of stale Fortran/Power6 kernels
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2012-11-09
Erik Lindahl
Removal of stale Fortran kernels
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2012-11-09
Kasson
Merge "only use CPU_COUNT if it's available" into relea...
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2012-11-09
Szilard Pall
only use CPU_COUNT if it's available
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2012-11-09
Szilard Pall
also preferentiate .lib with GMX_PREFER_STATIC_LIBS
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2012-11-08
Roland Schulz
Merge "Fixed bug in the new switch-modified interaction...
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2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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2012-11-08
Christoph Junghans
Merge "Relocated logic of simple-vs-GPU Ewald table...
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2012-11-08
Erik Lindahl
Fixed bug in the new switch-modified interactions in...
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2012-11-08
Erik Lindahl
Allow rcoulomb=rlistlong for PME with nstcalclr=1
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2012-11-08
Mark Abraham
Relocated logic of simple-vs-GPU Ewald table generation
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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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2012-11-07
Christoph Junghans
Obey DSO standard
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2012-11-07
Szilard Pall
auto-set nvcc host compiler with FindMPI detection
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2012-11-07
Szilard Pall
detect externally set CPU affinity
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2012-11-06
Roland Schulz
Fix cmake error if compiler starts with blank line
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2012-11-06
Roland Schulz
Merge "Clarification of mdp_opt, add nstexpand defaults...
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2012-11-06
Berk Hess
Merge "Add option to install libcudart" into release-4-6
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