alexxy/gromacs.git
2012-11-29 Szilard Pallfix cmake re-running failure introduced by ef1127f
2012-11-29 Mark AbrahamMerge "Initial commit of new install guide" into releas...
2012-11-29 Mark AbrahamMerge "Bump version to 4.6-beta1" into release-4-6
2012-11-29 Mark AbrahamInitial commit of new install guide
2012-11-29 Mark AbrahamBump version to 4.6-beta1
2012-11-29 Mark AbrahamMerge "Added .gitignore for kernel generation" into...
2012-11-29 Mark AbrahamMerge "Double precision AVX-256 kernels" into release-4-6
2012-11-29 Mark AbrahamAdded .gitignore for kernel generation
2012-11-29 Mark AbrahamMerge "Fixing issue with GPU detection reporting" into...
2012-11-29 Mark AbrahamMerge "Double precision AVX_128_FMA kernels" into relea...
2012-11-29 Mark AbrahamMerge "Fix: pthread variables were overwritten by gmxMa...
2012-11-29 Erik LindahlDouble precision AVX-256 kernels
2012-11-29 Erik LindahlDouble precision AVX_128_FMA kernels
2012-11-29 Mark AbrahamFixing issue with GPU detection reporting
2012-11-29 Christoph JunghansMerge "Print error if no thread support is available...
2012-11-29 Mark AbrahamRefuse to build with clang 3.0
2012-11-29 Mark AbrahamAdd a CMake warning about FFTW with --enable-avx
2012-11-29 Mark AbrahamMerge "automation for setting GMX_GPU & cmake GPU detec...
2012-11-29 Szilard Pallautomation for setting GMX_GPU & cmake GPU detection
2012-11-29 Szilard Palldon't print nonbonded kernel info with GMX_NO_NONBONDED
2012-11-29 Mark AbrahamMerge "SSE4.1 double precision kernels" into release-4-6
2012-11-29 Mark AbrahamMerge "Double precision SSE2 kernels" into release-4-6
2012-11-28 Mark AbrahamMerge "Ported back some AVX256 optimizations to SSE2...
2012-11-28 Erik LindahlSSE4.1 double precision kernels
2012-11-28 Erik LindahlDouble precision SSE2 kernels
2012-11-28 Erik LindahlPorted back some AVX256 optimizations to SSE2/SSE4...
2012-11-28 Berk Hessfixed thread pinning with mdrun -multi
2012-11-28 Mark AbrahamMerge "Fix Window-GPU build" into release-4-6
2012-11-28 Christoph JunghansMerge "Fix cpack src ignore rule" into release-4-6
2012-11-28 Roland SchulzMerge "Remove CVS files" into release-4-6
2012-11-28 Roland SchulzFix cpack src ignore rule
2012-11-28 Erik Lindahl128-bit AVX kernels, with FMA instructions for Opteron...
2012-11-28 Christoph JunghansAdd option to internally build FFTW if selected
2012-11-28 Roland SchulzFix: pthread variables were overwritten by gmxManageGPU
2012-11-28 Mark AbrahamMerge "extended nbnxn x86 SIMD kernel blendv support...
2012-11-28 Roland SchulzFix CPACK_SOURCE_IGNORE_FILES
2012-11-28 Szilárd PállMerge changes I9b865c4c,Ib709290e into release-4-6
2012-11-28 Roland SchulzPrint error if no thread support is available
2012-11-28 Szilard Pallenable GPU emulation without GPU support
2012-11-28 Berk Hessextended nbnxn x86 SIMD kernel blendv support
2012-11-28 Szilard Palluse tMPI API for thread affinity setting
2012-11-28 Sander PronkFixed Windows tMPI_Thread_self().
2012-11-27 Roland SchulzFix Window-GPU build
2012-11-27 Roland SchulzRemove CVS files
2012-11-27 Erik LindahlNonbonded group kernels for 256-bit AVX (Intel CPUs)
2012-11-27 Michael ShirtsRemoves memory allocation from free energy foreign...
2012-11-27 Roland SchulzAdd visibility defines
2012-11-27 Erik LindahlMerge "Added affinity support check, visibility macros...
2012-11-27 Erik LindahlMerge "fixed bug in nbnxn OpenMP non-bonded force reduc...
2012-11-27 David van der... Merge "Merge release-4-5-patches into release-4-6"...
2012-11-27 Berk Hessfixed bug in nbnxn OpenMP non-bonded force reduction
2012-11-27 Sander PronkAdded affinity support check, visibility macros in...
2012-11-26 Sander PronkFixed issues with g_bar help text.
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-26 Roland SchulzMerge "Clean up some mathematical constants" into relea...
2012-11-26 Erik LindahlMerge "Use stat for gmx_is_file. Fix get_libdir with...
2012-11-26 Berk Hessmade nbnxn analytical Ewald consistent
2012-11-26 Mark AbrahamClean up some mathematical constants
2012-11-26 Sander PronkMade the linear extrapolation in g_bar non-default...
2012-11-26 Erik LindahlMerge "Extended build information output and reference...
2012-11-26 David van der... Fixes #1035 NaN in g_cluster output.
2012-11-26 Berk Hessadded nbnxn analytical Ewald correction kernels
2012-11-25 Teemu MurtolaExtended build information output and reference build...
2012-11-24 Roland SchulzUse stat for gmx_is_file. Fix get_libdir with symlinks.
2012-11-23 Roland SchulzMerge "removed group non-boneded call with verlet schem...
2012-11-23 Roland SchulzMerge "improve FindGROMACS.cmake" into release-4-6
2012-11-23 Roland SchulzForce C++ linking of the gpu_utils
2012-11-23 Szilárd PállMerge "Updates to CMake treatment of OpenMP" into relea...
2012-11-23 Szilard Pallremoved group non-boneded call with verlet scheme
2012-11-23 Mark AbrahamUpdates to CMake treatment of OpenMP
2012-11-23 Roland SchulzMerge changes I88f0dcef,I86b2a8cf,I70fb7e6d into releas...
2012-11-22 Erik LindahlFix for icc 13 optimization-related issue and TIP4P...
2012-11-22 Christoph Junghansimprove FindGROMACS.cmake
2012-11-22 Erik LindahlImplemented RMS-based force tolerance in gmxcheck
2012-11-22 Erik LindahlFixed LJ-14 error in free energy
2012-11-22 Mark AbrahamSpeed up mdlib compilation by reordering file globs
2012-11-22 Szilard Pallunset MPI detection leftover cache variables
2012-11-20 Christoph JunghansMerge "Fix g_msd -mol" into release-4-6
2012-11-20 Christoph JunghansMerge "Fixes bug in g_hbond that makes it produce fatal...
2012-11-20 David van der... Fixes bug in g_hbond that makes it produce fatal error.
2012-11-20 Roland SchulzFix CXX/C mismatch of flag/macro for gmxCFlags
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-20 Roland SchulzFix CXX/C mismatch of flag/macro for gmxCFlags
2012-11-19 Roland SchulzMerge changes Ibc555d88,Iaf6f3051 into release-4-6
2012-11-19 Mark AbrahamMerge "SSE4.1 single-precision kernels" into release-4-6
2012-11-19 Mark AbrahamMinor updates to CMake usage
2012-11-19 Roland SchulzAdd CMAKE_PREFIX_PATH to cmake-gui
2012-11-19 Erik LindahlSSE4.1 single-precision kernels
2012-11-19 Roland SchulzMerge "Remove double declaration in headers" into relea...
2012-11-19 Szilard Pallalways mark as advanced leftover FindCUDA variables
2012-11-18 Roland SchulzFix GMX_TEST_CFLAG bug with acceleration flags
2012-11-18 Roland SchulzFix bugs in gmxCFlags
2012-11-17 Roland SchulzRename remaining GMX_ACCELERATION to GMX_CPU_ACCELERATION
2012-11-17 Roland SchulzRemove double declaration in headers
2012-11-17 David van der... Merge "Added grompp warning" into release-4-6
2012-11-17 David van der... Merge "Remove rest of the xml support" into release-4-6
2012-11-17 Roland SchulzMerge "Removing Zn and Ar non-OPLS atom types" into...
2012-11-16 Mark AbrahamAdded grompp warning
2012-11-16 Roland SchulzRemoving Zn and Ar non-OPLS atom types
2012-11-16 Christoph JunghansRemove rest of the xml support
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