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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src /
2021-11-05 Andrey AlekseenkoSYCL: Avoid using no_init read accessor in rocFFT master tree | commitdiff
2021-11-05 Szilárd PállSplit simulationWork.useGpuBufferOps into separate... tree | commitdiff
2021-11-05 Mark AbrahamPermit tests to specify the refdata filename tree | commitdiff
2021-11-04 Szilárd PállMake stepWorkload.useGpuXBufferOps flag consistent tree | commitdiff
2021-11-04 Berk HessClean up index handing in make_bondeds_zone tree | commitdiff
2021-11-03 Andrey AlekseenkoUnify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE... tree | commitdiff
2021-11-03 Magnus LundborgUpdate mdrun message to reflect that Cuda CC>=3.5 is... tree | commitdiff
2021-11-03 Magnus LundborgAdd TNG to trjconv doc and more details about TNG selec... tree | commitdiff
2021-11-03 Andrey AlekseenkoDisable fastmath with OpenCL on Intel devices tree | commitdiff
2021-11-03 Andrey AlekseenkoFix CUDA clang-tidy complaints tree | commitdiff
2021-11-03 Mark AbrahamImprove MessageStringCollector tree | commitdiff
2021-11-03 Andrey AlekseenkoAvoid allocating SYCL buffer on each call to PME solve tree | commitdiff
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-11-03 Joe JordanRemove unused thole polarization rfac parameter tree | commitdiff
2021-11-03 Andrey AlekseenkoSYCL: Use acc.bind(cgh) instead of cgh.require(acc) tree | commitdiff
2021-11-02 Berk HessAdd second LINCS atom update task tree | commitdiff
2021-11-01 Mark AbrahamAdd missing MPI_Barrier to MpiTest tree | commitdiff
2021-11-01 Eliane BriandAdd DSSP v4 support to do_dssp tree | commitdiff
2021-11-01 Szilárd PállFix hipSYCL build with CUDA target tree | commitdiff
2021-10-30 Andrey AlekseenkoSilence clang-tidy warnings tree | commitdiff
2021-10-30 Andrey AlekseenkoSet up event consumption counter in DomDecMpiTests tree | commitdiff
2021-10-29 Magnus LundborgAllow TNG to TNG file conversion without time per frame... tree | commitdiff
2021-10-29 Alan GraySimplify GPU force reduction conditionals tree | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests tree | commitdiff
2021-10-28 Berk HessDocument and clean up do_numbering() tree | commitdiff
2021-10-28 Berk HessUpdate copyright year for tests/grompp.cpp tree | commitdiff
2021-10-27 Andrey AlekseenkoDisable GPU buffer ops when using MTS tree | commitdiff
2021-10-27 Berk HessAdd Oliver Fleetwood as a contributor tree | commitdiff
2021-10-27 Szilárd PállUnify coordinate copy handling across GPU platforms tree | commitdiff
2021-10-27 Oliver FleetwoodAdd preprocessing and integration test for transformati... tree | commitdiff
2021-10-27 Joe JordanFix norm calculation in gmx_spatial tree | commitdiff
2021-10-27 Paul BauerFix link for dssp download tree | commitdiff
2021-10-27 Joe JordanThrow on failure in gmx_file_rename tree | commitdiff
2021-10-26 Kevin BoydAdd -maxtau option to gmx msd tree | commitdiff
2021-10-26 Mark AbrahamRemove short-circuit logic for OpenMP setup tree | commitdiff
2021-10-26 ejjordanAdd parser tests dependency to tests tree | commitdiff
2021-10-26 Alan GrayInsert barrier after each GPU halo test tree | commitdiff
2021-10-26 Mark AbrahamMinor improvements to gmx wham output tree | commitdiff
2021-10-26 Mark AbrahamRemove/replace many mentions of Jenkins tree | commitdiff
2021-10-25 Andrey AlekseenkoSilence Clang's constant-logical-operand warning tree | commitdiff
2021-10-24 Kevin BoydUpdate release notes for gmx msd and clear some TODOs tree | commitdiff
2021-10-22 Andrey AlekseenkoGet rid of sycl::buffer::reinterpret tree | commitdiff
2021-10-22 Mark AbrahamAdd utility dependency to libmdrun_test_infrastructure tree | commitdiff
2021-10-22 Andrey AlekseenkoActivate GPU update support in SYCL build tree | commitdiff
2021-10-22 Mark AbrahamFix cuda clang-tidy issues tree | commitdiff
2021-10-22 Magnus LundborgAvoid comparing Simd types to real 0 when making masks... tree | commitdiff
2021-10-21 Sebastian KehlFix use of simd-masks in gapsys softcore. tree | commitdiff
2021-10-21 Andrey AlekseenkoBalance event consumption for GPU update code path tree | commitdiff
2021-10-21 Magnus LundborgMinor code clean-up in the NB FEP kernel. tree | commitdiff
2021-10-21 Magnus LundborgImprove variable naming in NB FEP kernel for loop. tree | commitdiff
2021-10-21 Berk HessAdd lambda state to dhdl.xvg with AWH fep tree | commitdiff
2021-10-21 Andrey AlekseenkoUnify a bit decideWhetherToUseGpusForPme* functions tree | commitdiff
2021-10-21 Mark AbrahamRefactor PME tests for better usability tree | commitdiff
2021-10-21 Berk HessImprove AWH bias sharing documentation tree | commitdiff
2021-10-20 Andrey AlekseenkoFix compiler warnings with OpenCL + oneAPI 2021.4 tree | commitdiff
2021-10-19 Roland SchulzFix warnings with Intel 2021.4 tree | commitdiff
2021-10-19 Andrey AlekseenkoFix SYCL PME Solve kernel tree | commitdiff
2021-10-19 Mark AbrahamAnother clang-tidy fix for new GPU code tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-18 Andrey AlekseenkoFix UB when generating local indices for constraints tree | commitdiff
2021-10-18 Mark AbrahamFix clang-tidy error in new GPU code tree | commitdiff
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP tree | commitdiff
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms tree | commitdiff
2021-10-14 Andrey AlekseenkoImprove stability of ContinuationIsExact tests tree | commitdiff
2021-10-13 Berk HessMade gromacs work again without MPI tree | commitdiff
2021-10-13 Andrey AlekseenkoFix fft/CMakeLists when compiling with hipSYCL tree | commitdiff
2021-10-13 Mark AbrahamImplement PME solve in SYCL tree | commitdiff
2021-10-13 Andrey AlekseenkoFix clang-tidy complaints tree | commitdiff
2021-10-12 Andrey AlekseenkoStop timers in GpuForceReduction with no atoms tree | commitdiff
2021-10-11 M. Eric IrrgangFix typo in code comment. tree | commitdiff
2021-10-11 Alan GrayBug fix for irregular replex steps with GPU update tree | commitdiff
2021-10-11 Berk HessFix issues in AWH BiasSharing test tree | commitdiff
2021-10-11 M. Eric IrrgangNormalize API tests. tree | commitdiff
2021-10-11 M. Eric IrrgangMore robust preparation for MPI tests. tree | commitdiff
2021-10-10 M. Eric IrrgangSatisfy nblib dependencies with updated library targets. tree | commitdiff
2021-10-09 Andrey AlekseenkoSYCL: Reduce local memory usage of LINCS kernel tree | commitdiff
2021-10-08 Sebastian KehlAdapt testcases for gapsys softcore tree | commitdiff
2021-10-06 Pascal MerzImplement pull for modular simulator tree | commitdiff
2021-10-06 Andrey AlekseenkoFix misc-misplaced-const and unused-parameter warnings tree | commitdiff
2021-10-06 Artem ZhmurovAdd constraints test with multiple molecules tree | commitdiff
2021-10-06 Andrey AlekseenkoFix SYCL LINCS kernel tree | commitdiff
2021-10-06 Andrey AlekseenkoSYCL: Add missing barrier to NBNXM energy reduction tree | commitdiff
2021-10-06 Artem ZhmurovAdd missing synchronization calls in CUDA version of... tree | commitdiff
2021-10-06 Alan GrayRework GPU halo and state propagator streams and depend... tree | commitdiff
2021-10-05 Berk HessMake AWH bias sharing more flexible tree | commitdiff
2021-10-05 Sebastian KehlClang-format. tree | commitdiff
2021-10-05 Sebastian KehlMore sc-gapsys templates plus fix unused warnigs. tree | commitdiff
2021-10-05 Sebastian KehlFix typo introduced during rebase. tree | commitdiff
2021-10-05 Sebastian KehlTemplate sc-gapsys functions on computeForces. tree | commitdiff
2021-10-05 Sebastian KehlUncapitalize sc-gapsys parameters in input. tree | commitdiff
2021-10-05 Sebastian KehlRename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ. tree | commitdiff
2021-10-05 Sebastian KehlRename sc-scale-X-gapsys to sc-gapsys-scale-X. tree | commitdiff
2021-10-05 Sebastian KehlGuard for epsfac equals zero in sc-gapsys. tree | commitdiff
2021-10-05 Sebastian KehlFix random fpe errors by proper initialization. tree | commitdiff
2021-10-05 Sebastian KehlClang-format. tree | commitdiff
2021-10-05 Sebastian KehlFix some more double literals. tree | commitdiff
2021-10-05 Sebastian KehlFix port of gapsys-LJ to simd. tree | commitdiff
2021-10-05 Sebastian KehlFix range checks for new parameters. tree | commitdiff
2021-10-05 Sebastian KehlFix sign in 14-interactions with sc-gapsys. tree | commitdiff
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