alexxy/gromacs.git
2012-12-17 Szilárd PállMerge "reduced PLINCS communication with H-bond constra...
2012-12-13 Mark AbrahamFix typo
2012-12-11 Christoph JunghansMerge "Fix compilation with PGI" into release-4-6
2012-12-11 Berk Hessreduced PLINCS communication with H-bond constraints
2012-12-10 Christoph JunghansMerge "force C++ linking of the gpu_utils" into release-4-6
2012-12-09 Roland SchulzMerge "fixed GPU pair-search with GMX_CPU_ACCELERATION...
2012-12-09 Roland SchulzMerge "Fix build of template and other external code...
2012-12-08 Roland SchulzFix compilation with PGI
2012-12-07 Berk Hessfixed GPU pair-search with GMX_CPU_ACCELERATION=None
2012-12-06 Roland SchulzMake SSE4.1 warning clearer
2012-12-06 Mark AbrahamNew beta release: 4.6-beta2
2012-12-06 Mark AbrahamApply LGPL license to new files
2012-12-06 Mark AbrahamUpdates for install guide
2012-12-06 Michael ShirtsRemoving (inaccurate) virial temperature calc.
2012-12-06 Teemu MurtolaFix build of template and other external code.
2012-12-06 Sebastian FritschRe-enable AdResS feature
2012-12-06 Berk Hessremoved last OpenMP O(nthreads) bottleneck
2012-12-06 Mark AbrahamEliminate confusion from pkgconfig FFTW detection
2012-12-05 Szilard Palldon't warn during configuring if no GPUs were found
2012-12-05 Christoph Junghansfixed obsolete gmx_fatal in OpenMM build
2012-12-05 Szilard Pallfirst step toward moving OpenMM support to contrib
2012-12-05 Mark AbrahamMerge "don't auto-set nvcc host compiler with cmake...
2012-12-05 Mark AbrahamMerge "Keep FindCUDA quiet when it is not useful" into...
2012-12-05 Mark AbrahamMerge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
2012-12-05 Mark AbrahamMerge "Re-apply -dev version name between beta 1 and...
2012-12-05 Roland SchulzMerge "fixed segv in Verlet pair-search with trilinic...
2012-12-05 Mark AbrahamMerge "Fixed labelling of g_hbond plots" into release-4-6
2012-12-05 Roland SchulzMerge "fixed incorrect virial with virtual sites and...
2012-12-05 Roland SchulzRemove TEST_TMPI_ATOMICS_ONLY
2012-12-05 Mark AbrahamRe-apply -dev version name between beta 1 and beta 2
2012-12-05 Berk Hessfixed incorrect virial with virtual sites and OpenMP
2012-12-05 Mark AbrahamKeep FindCUDA quiet when it is not useful
2012-12-05 Berk Hessfixed segv in Verlet pair-search with trilinic DD
2012-12-05 Erik MarklundFixed labelling of g_hbond plots
2012-12-05 Szilard Palldon't auto-set nvcc host compiler with cmake >2.8.9
2012-11-30 Szilard Pallforce C++ linking of the gpu_utils
2012-11-30 Berk Hessfixed issue with -multi and GPUs
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL
2012-11-29 Szilard Pallmade errors during GPU detection non-fatal
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.
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