Fix segfault in pull reading
[alexxy/gromacs.git] / src /
2020-10-13 Joe JordanFix segfault in pull reading
2020-10-12 Artem ZhmurovFix the seeding of PRNG when it is used instead of RG
2020-10-09 Artem ZhmurovCool quote picking can freeze when hardware random...
2020-10-09 Andrey AlekseenkoTry to fix the nightly clang-tidy-9 build
2020-10-09 Berk HessAdd MTS support for pull and AWH
2020-10-09 Christian BlauRemove dysfunctional QMMM interface pt5
2020-10-09 Paul BauerRemove under the hood editing of pdb files
2020-10-09 Magnus LundborgAWH: Remove random term from FEP tests
2020-10-08 Andrey AlekseenkoAdd explicit types to NB kernel type enums
2020-10-08 Andrey AlekseenkoSet CUDA hardware constants for CC 7.5, 8.6
2020-10-08 Andrey AlekseenkoDevice management: Add SYCL GpuEventSynchronizer
2020-10-08 Andrey AlekseenkoActivate SYCL build on CI
2020-10-08 Artem ZhmurovAdd Andrey Alekseenko to the list of authors
2020-10-07 Andrey AlekseenkoAdd GpuRegionTimer for SYCL
2020-10-07 Erik LindahlNew release, new quotes!
2020-10-07 Mark AbrahamUpdate to oneAPI beta09
2020-10-07 Andrey AlekseenkoMake LeapFrogGpu less tied to CUDA
2020-10-07 Andrey Alekseenkomdlib/tests/leapfrog: Make GPU tests more platform...
2020-10-07 Paul BauerFix SYCL compilation
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-06 Artem ZhmurovRemove unused canComputeOnGpu(...) function from device...
2020-10-06 Paul BauerSet proper deviceVendor with SYCL
2020-10-06 Artem ZhmurovSimplify GPU usage decision function signatures
2020-10-06 Andrey AlekseenkoFix logic in init_ewald_coulomb_force_table
2020-10-06 Artem ZhmurovUse new GPU infrastructure in MDLib tests
2020-10-05 Paul BauerAlways set DeviceVendor
2020-10-05 Paul BauerFix debug message location
2020-10-05 Paul BauerAdd muparser and CMake handling
2020-10-05 Paul BauerFix doxygen warnings
2020-10-05 Pascal MerzFix ForceBuffers compiler warning
2020-10-02 Mark AbrahamCleaned up CUDA compilation
2020-10-02 Paul BauerWork-around for RDRAND returning -1 on Ryzen
2020-10-02 Paul BauerRemove anonymous namespace in ARM SVE header
2020-10-02 Joe JordanAdd tests for setStringEntry
2020-10-02 Mark AbrahamUpdate GoogleTest to v1.8.1
2020-10-02 Christian BlauFix FEP lambda interpolation for reruns
2020-10-02 Alan GrayUse workload data structures for GPU halo exchange...
2020-10-02 Gilles Gouaillardetarm_sve: fix decr3Hsimd()
2020-10-01 Gilles Gouaillardethardware: detect ARM SVE architecture at runtime
2020-10-01 Gilles Gouaillardetcmake: use simd support for ARM+SVE
2020-10-01 Gilles Gouaillardetsimd: add support for aarch64+sve (ARM_SVE)
2020-10-01 Gilles Gouaillardetsimd: revamp the (templated) decr3Hsimd() subroutine
2020-10-01 Andrey AlekseenkoRemove ensureReferenceCount from OpenCL's GpuEventSynch...
2020-10-01 Artem ZhmurovAdd missing include into the tests comparison helper
2020-10-01 Paul BauerBreak up MPI tests
2020-10-01 Berk HessMove computeSlowForces into stepWork
2020-10-01 Christian BlauFix the FEP lambda interpolation
2020-10-01 Andrey AlekseenkoDevice management: Add SYCL DeviceBuffer
2020-09-30 Pascal MerzRegression-test-style Google tests for FEP
2020-09-30 Andrey AlekseenkoSquash SYCL DeviceContext and DeviceStream
2020-09-30 Berk HessMove computeSlowForces into stepWork
2020-09-30 Paul BauerUpdate CI on 2020 branch
2020-09-30 Mark AbrahamFix warnings issued by clang with nvcc
2020-09-30 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state
2020-09-30 Pascal MerzFix #3655
2020-09-30 Pascal MerzFix #3694
2020-09-30 Artem ZhmurovRestore destructor for GpuTest and gmx_hw_info_t
2020-09-29 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state
2020-09-29 Paul BauerFix doxygen warnings
2020-09-29 Artem ZhmurovDon't use fah_fsync
2020-09-29 Artem ZhmurovRemove two-stage initialization in DeviceStream
2020-09-29 Alan GrayRedevelopment of GPU Force Reduction/Buffer Ops
2020-09-29 M. Eric IrrgangAllow MPI-enabled clients to provide the library commun...
2020-09-29 M. Eric IrrgangInterface updates allowing client to provide MPI commun...
2020-09-28 Alan GrayRemove single-dimension limitation from GPU halo exchange
2020-09-28 Andrey AlekseenkoFix error in ensureReferenceCount
2020-09-28 Berk HessFix dispersion correction table generation
2020-09-28 Giovanni BussiFixed incorrect enum
2020-09-28 Artem Zhmurovadd detection of CPX 5300 w/ 2FMAs
2020-09-27 Pascal MerzCompare trajectories to reference data
2020-09-27 Pascal MerzRoll back "Ensure the modular simulator runs only when...
2020-09-25 Andrey AlekseenkoFix #3668
2020-09-25 Pascal MerzReplace FramesToCompare enum by MaxNumFrames
2020-09-25 Mark AbrahamEnsure the modular simulator runs only when it should
2020-09-25 Berk HessFix grompp group handling with frozen system
2020-09-24 Szilárd PállImprove OpenCL log/error reporting
2020-09-23 Andrey AlekseenkoFix false-positives in checkDeviceBuffer for OpenCL
2020-09-23 Mark AbrahamReport name of missing OpenCL kernels
2020-09-23 Pascal MerzAccess write checkpoint functionality directly
2020-09-23 Pascal MerzImplement Berendsen thermostat for modular simulator
2020-09-23 Mark AbrahamPermit comparison of only first frames
2020-09-22 Mark AbrahamSplit mdrun-test
2020-09-22 Andrey AlekseenkoDraft: Fix compilation
2020-09-22 Christian BlauNelder-Mead downhill simplex optimisation
2020-09-21 Pascal MerzCheckpointdata DD followup
2020-09-21 Mark AbrahamWrong logic was used
2020-09-21 Gilles Gouaillardetsimd/impl_none: add missing macros
2020-09-21 Magnus LundborgAWH avoid constructors only differing in parameter...
2020-09-21 Artem ZhmurovDo not run PinnedMemoryCheckerTest when there are no...
2020-09-20 Andrey AlekseenkoAdd NVIDIA GPU compatibility check, following issue...
2020-09-20 Artem ZhmurovSet active device when the device stream manager is...
2020-09-20 Artem ZhmurovAllow using old environment variables, but print deprec...
2020-09-18 Pascal MerzRefactor v-rescale thermostat to allow for other algorithms
2020-09-18 M. Eric IrrgangImprove naming and docs.
2020-09-18 Berk HessRemove cutoff_scheme from t_forcerec and interaction_co...
2020-09-18 M. Eric IrrgangDocument a Mdrunner::BuilderImplementation member.
2020-09-17 Berk HessMove bNonbonded flag from t_forcerec to SimulationWorkload
2020-09-17 Gilles Gouaillardethardware: only check RDTSCP on x86 platforms
2020-09-17 Pascal MerzRename VRescaleThermostat to VelocityScalingTemperature...
2020-09-17 Artem ZhmurovRemove the CPU hardware context from the general list...
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