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issue error if GPU ID is provided with GPU acc. off
[alexxy/gromacs.git] / src /
2012-12-18 Szilard Pallissue error if GPU ID is provided with GPU acc. off tree | commitdiff
2012-12-17 Szilárd PállMerge "reduced PLINCS communication with H-bond constra... tree | commitdiff
2012-12-11 Christoph JunghansMerge "Fix compilation with PGI" into release-4-6 tree | commitdiff
2012-12-11 Berk Hessreduced PLINCS communication with H-bond constraints tree | commitdiff
2012-12-10 Christoph JunghansMerge "force C++ linking of the gpu_utils" into release-4-6 tree | commitdiff
2012-12-09 Roland SchulzMerge "fixed GPU pair-search with GMX_CPU_ACCELERATION... tree | commitdiff
2012-12-09 Roland SchulzMerge "Fix build of template and other external code... tree | commitdiff
2012-12-08 Roland SchulzFix compilation with PGI tree | commitdiff
2012-12-07 Berk Hessfixed GPU pair-search with GMX_CPU_ACCELERATION=None tree | commitdiff
2012-12-06 Mark AbrahamApply LGPL license to new files tree | commitdiff
2012-12-06 Michael ShirtsRemoving (inaccurate) virial temperature calc. tree | commitdiff
2012-12-06 Sebastian FritschRe-enable AdResS feature tree | commitdiff
2012-12-06 Berk Hessremoved last OpenMP O(nthreads) bottleneck tree | commitdiff
2012-12-05 Christoph Junghansfixed obsolete gmx_fatal in OpenMM build tree | commitdiff
2012-12-05 Mark AbrahamMerge "don't auto-set nvcc host compiler with cmake... tree | commitdiff
2012-12-05 Mark AbrahamMerge "Keep FindCUDA quiet when it is not useful" into... tree | commitdiff
2012-12-05 Mark AbrahamMerge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6 tree | commitdiff
2012-12-05 Mark AbrahamMerge "Re-apply -dev version name between beta 1 and... tree | commitdiff
2012-12-05 Roland SchulzMerge "fixed segv in Verlet pair-search with trilinic... tree | commitdiff
2012-12-05 Mark AbrahamMerge "Fixed labelling of g_hbond plots" into release-4-6 tree | commitdiff
2012-12-05 Roland SchulzMerge "fixed incorrect virial with virtual sites and... tree | commitdiff
2012-12-05 Berk Hessfixed incorrect virial with virtual sites and OpenMP tree | commitdiff
2012-12-05 Berk Hessfixed segv in Verlet pair-search with trilinic DD tree | commitdiff
2012-12-05 Erik MarklundFixed labelling of g_hbond plots tree | commitdiff
2012-11-30 Szilard Pallforce C++ linking of the gpu_utils tree | commitdiff
2012-11-30 Berk Hessfixed issue with -multi and GPUs tree | commitdiff
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL tree | commitdiff
2012-11-29 Szilard Pallmade errors during GPU detection non-fatal tree | commitdiff
2012-11-29 Mark AbrahamMerge "Bump version to 4.6-beta1" into release-4-6 tree | commitdiff
2012-11-29 Mark AbrahamMerge "Added .gitignore for kernel generation" into... tree | commitdiff
2012-11-29 Mark AbrahamMerge "Double precision AVX-256 kernels" into release-4-6 tree | commitdiff
2012-11-29 Mark AbrahamAdded .gitignore for kernel generation tree | commitdiff
2012-11-29 Mark AbrahamMerge "Fixing issue with GPU detection reporting" into... tree | commitdiff
2012-11-29 Mark AbrahamMerge "Double precision AVX_128_FMA kernels" into relea... tree | commitdiff
2012-11-29 Erik LindahlDouble precision AVX-256 kernels tree | commitdiff
2012-11-29 Erik LindahlDouble precision AVX_128_FMA kernels tree | commitdiff
2012-11-29 Mark AbrahamMerge "automation for setting GMX_GPU & cmake GPU detec... tree | commitdiff
2012-11-29 Szilard Palldon't print nonbonded kernel info with GMX_NO_NONBONDED tree | commitdiff
2012-11-29 Mark AbrahamMerge "SSE4.1 double precision kernels" into release-4-6 tree | commitdiff
2012-11-29 Mark AbrahamMerge "Double precision SSE2 kernels" into release-4-6 tree | commitdiff
2012-11-28 Mark AbrahamMerge "Ported back some AVX256 optimizations to SSE2... tree | commitdiff
2012-11-28 Erik LindahlSSE4.1 double precision kernels tree | commitdiff
2012-11-28 Erik LindahlDouble precision SSE2 kernels tree | commitdiff
2012-11-28 Erik LindahlPorted back some AVX256 optimizations to SSE2/SSE4... tree | commitdiff
2012-11-28 Berk Hessfixed thread pinning with mdrun -multi tree | commitdiff
2012-11-28 Mark AbrahamMerge "Fix Window-GPU build" into release-4-6 tree | commitdiff
2012-11-28 Christoph JunghansMerge "Fix cpack src ignore rule" into release-4-6 tree | commitdiff
2012-11-28 Roland SchulzMerge "Remove CVS files" into release-4-6 tree | commitdiff
2012-11-28 Erik Lindahl128-bit AVX kernels, with FMA instructions for Opteron... tree | commitdiff
2012-11-28 Christoph JunghansAdd option to internally build FFTW if selected tree | commitdiff
2012-11-28 Mark AbrahamMerge "extended nbnxn x86 SIMD kernel blendv support... tree | commitdiff
2012-11-28 Szilárd PállMerge changes I9b865c4c,Ib709290e into release-4-6 tree | commitdiff
2012-11-28 Szilard Pallenable GPU emulation without GPU support tree | commitdiff
2012-11-28 Berk Hessextended nbnxn x86 SIMD kernel blendv support tree | commitdiff
2012-11-28 Szilard Palluse tMPI API for thread affinity setting tree | commitdiff
2012-11-28 Sander PronkFixed Windows tMPI_Thread_self(). tree | commitdiff
2012-11-27 Roland SchulzFix Window-GPU build tree | commitdiff
2012-11-27 Roland SchulzRemove CVS files tree | commitdiff
2012-11-27 Erik LindahlNonbonded group kernels for 256-bit AVX (Intel CPUs) tree | commitdiff
2012-11-27 Michael ShirtsRemoves memory allocation from free energy foreign... tree | commitdiff
2012-11-27 Roland SchulzAdd visibility defines tree | commitdiff
2012-11-27 Erik LindahlMerge "Added affinity support check, visibility macros... tree | commitdiff
2012-11-27 Erik LindahlMerge "fixed bug in nbnxn OpenMP non-bonded force reduc... tree | commitdiff
2012-11-27 David van der SpoelMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-11-27 Berk Hessfixed bug in nbnxn OpenMP non-bonded force reduction tree | commitdiff
2012-11-27 Sander PronkAdded affinity support check, visibility macros in... tree | commitdiff
2012-11-26 Sander PronkFixed issues with g_bar help text. tree | commitdiff
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-11-26 Roland SchulzMerge "Clean up some mathematical constants" into relea... tree | commitdiff
2012-11-26 Erik LindahlMerge "Use stat for gmx_is_file. Fix get_libdir with... tree | commitdiff
2012-11-26 Berk Hessmade nbnxn analytical Ewald consistent tree | commitdiff
2012-11-26 Mark AbrahamClean up some mathematical constants tree | commitdiff
2012-11-26 Sander PronkMade the linear extrapolation in g_bar non-default... tree | commitdiff
2012-11-26 Erik LindahlMerge "Extended build information output and reference... tree | commitdiff
2012-11-26 David van der SpoelFixes #1035 NaN in g_cluster output. tree | commitdiff
2012-11-26 Berk Hessadded nbnxn analytical Ewald correction kernels tree | commitdiff
2012-11-25 Teemu MurtolaExtended build information output and reference build... tree | commitdiff
2012-11-24 Roland SchulzUse stat for gmx_is_file. Fix get_libdir with symlinks. tree | commitdiff
2012-11-23 Roland SchulzMerge "removed group non-boneded call with verlet schem... tree | commitdiff
2012-11-23 Roland SchulzMerge "improve FindGROMACS.cmake" into release-4-6 tree | commitdiff
2012-11-23 Roland SchulzForce C++ linking of the gpu_utils tree | commitdiff
2012-11-23 Szilárd PállMerge "Updates to CMake treatment of OpenMP" into relea... tree | commitdiff
2012-11-23 Szilard Pallremoved group non-boneded call with verlet scheme tree | commitdiff
2012-11-23 Roland SchulzMerge changes I88f0dcef,I86b2a8cf,I70fb7e6d into releas... tree | commitdiff
2012-11-22 Erik LindahlFix for icc 13 optimization-related issue and TIP4P... tree | commitdiff
2012-11-22 Erik LindahlImplemented RMS-based force tolerance in gmxcheck tree | commitdiff
2012-11-22 Erik LindahlFixed LJ-14 error in free energy tree | commitdiff
2012-11-22 Mark AbrahamSpeed up mdlib compilation by reordering file globs tree | commitdiff
2012-11-20 Christoph JunghansMerge "Fix g_msd -mol" into release-4-6 tree | commitdiff
2012-11-20 Christoph JunghansMerge "Fixes bug in g_hbond that makes it produce fatal... tree | commitdiff
2012-11-20 David van der SpoelFixes bug in g_hbond that makes it produce fatal error. tree | commitdiff
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-11-19 Roland SchulzMerge changes Ibc555d88,Iaf6f3051 into release-4-6 tree | commitdiff
2012-11-19 Mark AbrahamMerge "SSE4.1 single-precision kernels" into release-4-6 tree | commitdiff
2012-11-19 Erik LindahlSSE4.1 single-precision kernels tree | commitdiff
2012-11-19 Roland SchulzMerge "Remove double declaration in headers" into relea... tree | commitdiff
2012-11-17 Roland SchulzRemove double declaration in headers tree | commitdiff
2012-11-17 David van der SpoelMerge "Added grompp warning" into release-4-6 tree | commitdiff
2012-11-17 David van der SpoelMerge "Remove rest of the xml support" into release-4-6 tree | commitdiff
2012-11-17 Roland SchulzMerge "Removing Zn and Ar non-OPLS atom types" into... tree | commitdiff
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