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alexxy/gromacs.git
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 Berk HessMove computeSlowForces into stepWork 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 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 #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 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 Andrey AlekseenkoFix error in ensureReferenceCount 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
2020-09-24 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
2020-09-22 Andrey AlekseenkoDraft: Fix compilation commit | commitdiff | tree | snapshot
2020-09-22 Paul BauerMake Oneapi use CCache again commit | commitdiff | tree | snapshot
2020-09-22 Christian BlauNelder-Mead downhill simplex optimisation commit | commitdiff | tree | snapshot
2020-09-21 Pascal MerzCheckpointdata DD followup commit | commitdiff | tree | snapshot
2020-09-21 Mark AbrahamWrong logic was used commit | commitdiff | tree | snapshot
2020-09-21 Gilles Gouaillardetsimd/impl_none: add missing macros commit | commitdiff | tree | snapshot
2020-09-21 Paul BauerFix script building all CI containers and add gcovr commit | commitdiff | tree | snapshot
2020-09-21 Paul BauerAdd OpenSSH to docs build images commit | commitdiff | tree | snapshot
2020-09-21 Magnus LundborgAWH avoid constructors only differing in parameter... commit | commitdiff | tree | snapshot
2020-09-21 Artem ZhmurovDo not run PinnedMemoryCheckerTest when there are no... commit | commitdiff | tree | snapshot
2020-09-21 Artem ZhmurovMove the message to the deprEcation-policy file commit | commitdiff | tree | snapshot
2020-09-20 Andrey AlekseenkoAdd NVIDIA GPU compatibility check, following issue... commit | commitdiff | tree | snapshot
2020-09-20 Artem ZhmurovSet active device when the device stream manager is... commit | commitdiff | tree | snapshot
2020-09-20 Artem ZhmurovAllow using old environment variables, but print deprec... commit | commitdiff | tree | snapshot
2020-09-18 Pascal MerzRefactor v-rescale thermostat to allow for other algorithms commit | commitdiff | tree | snapshot
2020-09-18 M. Eric IrrgangImprove naming and docs. commit | commitdiff | tree | snapshot
2020-09-18 Berk HessRemove cutoff_scheme from t_forcerec and interaction_co... commit | commitdiff | tree | snapshot
2020-09-18 M. Eric IrrgangDocument a Mdrunner::BuilderImplementation member. commit | commitdiff | tree | snapshot
2020-09-17 Berk HessMove bNonbonded flag from t_forcerec to SimulationWorkload commit | commitdiff | tree | snapshot
2020-09-17 Pascal MerzRename VRescaleThermostat to VelocityScalingTemperature... commit | commitdiff | tree | snapshot
2020-09-17 Artem ZhmurovRemove the CPU hardware context from the general list... commit | commitdiff | tree | snapshot
2020-09-16 Berk HessRemove unnecessary condition in DD force buffer resizing commit | commitdiff | tree | snapshot
2020-09-16 Mark AbrahamActivate AMD OpenCL build in release matrix commit | commitdiff | tree | snapshot
2020-09-16 Sebastian KellerReduce transitive dependencies in arrayref.h commit | commitdiff | tree | snapshot
2020-09-16 Christian BlauExtend user docs on affine transformations for densities commit | commitdiff | tree | snapshot
2020-09-16 Pascal MerzImplement modular checkpointing commit | commitdiff | tree | snapshot
2020-09-15 Artem ZhmurovUse common device context header for OpenCL commit | commitdiff | tree | snapshot
2020-09-15 Paul BauerBreak off some tests from mdrun tests commit | commitdiff | tree | snapshot
2020-09-15 M. Eric IrrgangRemove outdated workaround. commit | commitdiff | tree | snapshot
2020-09-15 Berk HessOnly extend Ewald table when necessary commit | commitdiff | tree | snapshot
2020-09-15 Erik LindahlEnable GMX_GPU=SYCL compiles commit | commitdiff | tree | snapshot
2020-09-15 Paul BauerFix missing installed files for OpenCL PME commit | commitdiff | tree | snapshot
2020-09-15 Christian BlauAll coordinates in the density-guided-simulation group... commit | commitdiff | tree | snapshot
2020-09-15 Berk HessFix task assignment with multiruns commit | commitdiff | tree | snapshot
2020-09-15 Erik LindahlFix minor warnings noticed by Intel compilers commit | commitdiff | tree | snapshot
2020-09-15 Alan GrayPass devFlags into createSimulationWorkload replacing... commit | commitdiff | tree | snapshot
2020-09-15 Artem ZhmurovFix VSite out of range error message commit | commitdiff | tree | snapshot
2020-09-14 M. Eric IrrgangCreate and use SimulationInput module. commit | commitdiff | tree | snapshot
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