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alexxy/gromacs.git
2020-10-07 Mark AbrahamUpdate to oneAPI beta09 commit | commitdiff | tree | snapshot
2020-10-07 M. Eric IrrgangImprove gmxPythonDiscovery.cmake commit | commitdiff | tree | snapshot
2020-10-07 Andrey AlekseenkoMake LeapFrogGpu less tied to CUDA commit | commitdiff | tree | snapshot
2020-10-07 Paul BauerFix download location for regressiontests commit | commitdiff | tree | snapshot
2020-10-07 Andrey Alekseenkomdlib/tests/leapfrog: Make GPU tests more platform... commit | commitdiff | tree | snapshot
2020-10-07 Paul BauerFix SYCL compilation commit | commitdiff | tree | snapshot
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff | tree | snapshot
2020-10-06 Artem ZhmurovRemove unused canComputeOnGpu(...) function from device... commit | commitdiff | tree | snapshot
2020-10-06 Paul BauerSet proper deviceVendor with SYCL commit | commitdiff | tree | snapshot
2020-10-06 Artem ZhmurovSimplify GPU usage decision function signatures commit | commitdiff | tree | snapshot
2020-10-06 Paul BauerPrepare for GROMACS 2020.5 commit | commitdiff | tree | snapshot
2020-10-06 Paul BauerGROMACS version 2020.4 commit | commitdiff | tree | snapshot
2020-10-06 Andrey AlekseenkoFix logic in init_ewald_coulomb_force_table commit | commitdiff | tree | snapshot
2020-10-06 Artem ZhmurovUse new GPU infrastructure in MDLib tests commit | commitdiff | tree | snapshot
2020-10-05 Paul BauerAlways set DeviceVendor commit | commitdiff | tree | snapshot
2020-10-05 Paul BauerFix debug message location commit | commitdiff | tree | snapshot
2020-10-05 Paul BauerAdd muparser and CMake handling commit | commitdiff | tree | snapshot
2020-10-05 Berk HessRemove incorrect cycle suppression commit | commitdiff | tree | snapshot
2020-10-05 Paul BauerFix doxygen warnings commit | commitdiff | tree | snapshot
2020-10-05 M. Eric IrrgangDon't override user provided CMAKE_OSX_DEPLOYMENT_TARGET. commit | commitdiff | tree | snapshot
2020-10-05 Pascal MerzFix ForceBuffers compiler warning commit | commitdiff | tree | snapshot
2020-10-02 Mark AbrahamCleaned up CUDA compilation commit | commitdiff | tree | snapshot
2020-10-02 Paul BauerWork-around for RDRAND returning -1 on Ryzen commit | commitdiff | tree | snapshot
2020-10-02 M. Eric IrrgangHandle gmxapi tmpi parameters better. commit | commitdiff | tree | snapshot
2020-10-02 M. Eric IrrgangLet gmxapi installation record the GROMACS library... commit | commitdiff | tree | snapshot
2020-10-02 Paul BauerRemove anonymous namespace in ARM SVE header commit | commitdiff | tree | snapshot
2020-10-02 Joe JordanAdd tests for setStringEntry commit | commitdiff | tree | snapshot
2020-10-02 Mark AbrahamUpdate GoogleTest to v1.8.1 commit | commitdiff | tree | snapshot
2020-10-02 Christian BlauFix FEP lambda interpolation for reruns commit | commitdiff | tree | snapshot
2020-10-02 Alan GrayUse workload data structures for GPU halo exchange... commit | commitdiff | tree | snapshot
2020-10-02 Gilles Gouaillardetarm_sve: fix decr3Hsimd() commit | commitdiff | tree | snapshot
2020-10-01 Szilárd PállUpdate mdrun-performance.rst commit | commitdiff | tree | snapshot
2020-10-01 Gilles Gouaillardetdocs: add ARM+SVE support to the release notes and... commit | commitdiff | tree | snapshot
2020-10-01 Gilles Gouaillardethardware: detect ARM SVE architecture at runtime commit | commitdiff | tree | snapshot
2020-10-01 Gilles Gouaillardetcmake: use simd support for ARM+SVE commit | commitdiff | tree | snapshot
2020-10-01 Gilles Gouaillardetsimd: add support for aarch64+sve (ARM_SVE) commit | commitdiff | tree | snapshot
2020-10-01 Gilles Gouaillardetsimd: revamp the (templated) decr3Hsimd() subroutine commit | commitdiff | tree | snapshot
2020-10-01 Andrey AlekseenkoRemove ensureReferenceCount from OpenCL's GpuEventSynch... commit | commitdiff | tree | snapshot
2020-10-01 M. Eric IrrgangUse updated images for Python CI jobs. commit | commitdiff | tree | snapshot
2020-10-01 Artem ZhmurovAdd missing include into the tests comparison helper commit | commitdiff | tree | snapshot
2020-10-01 Paul BauerBreak up MPI tests commit | commitdiff | tree | snapshot
2020-10-01 Paul BauerFix post merge acceptance pipeline for release-2020 commit | commitdiff | tree | snapshot
2020-10-01 Berk HessMove computeSlowForces into stepWork commit | commitdiff | tree | snapshot
2020-10-01 Christian BlauFix the FEP lambda interpolation commit | commitdiff | tree | snapshot
2020-10-01 Andrey AlekseenkoDevice management: Add SYCL DeviceBuffer commit | commitdiff | tree | snapshot
2020-10-01 Pascal MerzUpdate modular simulator docs commit | commitdiff | tree | snapshot
2020-09-30 Joe JordanAdd nblib sample script commit | commitdiff | tree | snapshot
2020-09-30 Pascal MerzRegression-test-style Google tests for FEP commit | commitdiff | tree | snapshot
2020-09-30 M. Eric IrrgangRestrict gmxapi pytest tests to `-nt 2` commit | commitdiff | tree | snapshot
2020-09-30 Andrey AlekseenkoSquash SYCL DeviceContext and DeviceStream commit | commitdiff | tree | snapshot
2020-09-30 Berk HessMove computeSlowForces into stepWork commit | commitdiff | tree | snapshot
2020-09-30 Paul BauerUpdate CI on 2020 branch commit | commitdiff | tree | snapshot
2020-09-30 M. Eric IrrgangSpecify OMP_NUM_THREADS for Pyhon CI scripts. commit | commitdiff | tree | snapshot
2020-09-30 Mark AbrahamFix warnings issued by clang with nvcc commit | commitdiff | tree | snapshot
2020-09-30 Andrey AlekseenkoFix Doxygen formula generation commit | commitdiff | tree | snapshot
2020-09-30 Paul BauerRevert "Add new GROMACS logo and use it in the manual." commit | commitdiff | tree | snapshot
2020-09-30 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state commit | commitdiff | tree | snapshot
2020-09-30 Pascal MerzFix #3655 commit | commitdiff | tree | snapshot
2020-09-30 Pascal MerzFix #3694 commit | commitdiff | tree | snapshot
2020-09-30 Paul BauerAdd new GROMACS logo and use it in the manual. commit | commitdiff | tree | snapshot
2020-09-30 Artem ZhmurovRestore destructor for GpuTest and gmx_hw_info_t commit | commitdiff | tree | snapshot
2020-09-29 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state commit | commitdiff | tree | snapshot
2020-09-29 Paul BauerFix doxygen warnings commit | commitdiff | tree | snapshot
2020-09-29 Artem ZhmurovDon't use fah_fsync commit | commitdiff | tree | snapshot
2020-09-29 ejjordanFail gracefully when nblib cannot be built commit | commitdiff | tree | snapshot
2020-09-29 Artem ZhmurovRemove two-stage initialization in DeviceStream commit | commitdiff | tree | snapshot
2020-09-29 Joe JordanAdd nblib backend: Part 2 of 2 commit | commitdiff | tree | snapshot
2020-09-29 Paul BauerAdd post submit rules to CI commit | commitdiff | tree | snapshot
2020-09-29 Alan GrayRedevelopment of GPU Force Reduction/Buffer Ops commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangClarifications for ResourceAssignment interface. commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangSupport ResourceAssignment interface for tMPI library... commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangAllow MPI-enabled clients to provide the library commun... commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangUse MpiContextManager to provide MPI communicator. commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangRelocate MpiContextManager. commit | commitdiff | tree | snapshot
2020-09-29 M. Eric IrrgangInterface updates allowing client to provide MPI commun... commit | commitdiff | tree | snapshot
2020-09-28 Alan GrayRemove single-dimension limitation from GPU halo exchange commit | commitdiff | tree | snapshot
2020-09-28 Joe JordanAdd nblib backend: Part 1 of 2 commit | commitdiff | tree | snapshot
2020-09-28 Paul BauerChange download for regressiontest away from gerrit commit | commitdiff | tree | snapshot
2020-09-28 Andrey AlekseenkoFix error in ensureReferenceCount commit | commitdiff | tree | snapshot
2020-09-28 Mark AbrahamFix check for BitScanReverse64 commit | commitdiff | tree | snapshot
2020-09-28 Berk HessFix dispersion correction table generation commit | commitdiff | tree | snapshot
2020-09-28 Joe JordanAdd initial nblib public API commit | commitdiff | tree | snapshot
2020-09-28 Giovanni BussiFixed incorrect enum commit | commitdiff | tree | snapshot
2020-09-28 Artem Zhmurovadd detection of CPX 5300 w/ 2FMAs commit | commitdiff | tree | snapshot
2020-09-27 Pascal MerzCompare trajectories to reference data commit | commitdiff | tree | snapshot
2020-09-27 Pascal MerzRoll back "Ensure the modular simulator runs only when... commit | commitdiff | tree | snapshot
2020-09-25 Andrey AlekseenkoFix #3668 commit | commitdiff | tree | snapshot
2020-09-25 Pascal MerzReplace FramesToCompare enum by MaxNumFrames commit | commitdiff | tree | snapshot
2020-09-25 Mark AbrahamEnsure the modular simulator runs only when it should commit | commitdiff | tree | snapshot
2020-09-25 Paul BauerFix bad logic in regressiontest branch selection commit | commitdiff | tree | snapshot
2020-09-25 Berk HessFix grompp group handling with frozen system commit | commitdiff | tree | snapshot
2020-09-24 Paul BauerAllow deployment of nightly webpage to server commit | commitdiff | tree | snapshot
2020-09-24 Szilárd PállImprove OpenCL log/error reporting commit | commitdiff | tree | snapshot
2020-09-23 Andrey AlekseenkoFix false-positives in checkDeviceBuffer for OpenCL commit | commitdiff | tree | snapshot
2020-09-23 Mark AbrahamReport name of missing OpenCL kernels commit | commitdiff | tree | snapshot
2020-09-23 Pascal MerzAccess write checkpoint functionality directly commit | commitdiff | tree | snapshot
2020-09-23 Pascal MerzImplement Berendsen thermostat for modular simulator commit | commitdiff | tree | snapshot
2020-09-23 Mark AbrahamPermit comparison of only first frames commit | commitdiff | tree | snapshot
2020-09-23 Alan GrayAdd regression tests for gpucomm paths commit | commitdiff | tree | snapshot
2020-09-22 Mark AbrahamSplit mdrun-test commit | commitdiff | tree | snapshot
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