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alexxy/gromacs.git
2018-06-25 Aleksei IupinovMove vectype_ops.clh into gpu_utils commit | commitdiff | tree | snapshot
2018-06-25 Aleksei IupinovMove the PME GPU kernel launch functions into pme-gpu... commit | commitdiff | tree | snapshot
2018-06-25 Mark AbrahamTest both internal and external clFFT build in Jenkins commit | commitdiff | tree | snapshot
2018-06-25 Mark AbrahamFix unused variable warnings commit | commitdiff | tree | snapshot
2018-06-24 Roland SchulzAllow GMX_OCL_DEBUG for any vendor commit | commitdiff | tree | snapshot
2018-06-23 Roland Schulzclang-tidy: Enable most bugprone checks commit | commitdiff | tree | snapshot
2018-06-23 Roland SchulzAllow to enable clang-tidy with GMX_CLANG_TIDY commit | commitdiff | tree | snapshot
2018-06-22 Mark AbrahamUpdate energy and trajectory frame types commit | commitdiff | tree | snapshot
2018-06-14 Kevin BoydChanged documentation on common errors during minimization commit | commitdiff | tree | snapshot
2018-06-14 Berk HessMinimization now detects infinite forces commit | commitdiff | tree | snapshot
2018-06-14 Aleksei IupinovEnsure PME with OpenCL does not attempt to pin commit | commitdiff | tree | snapshot
2018-06-14 Berk HessIntroduced DDAtomRanges class commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamCall Constraints::setConstraints with other setup code commit | commitdiff | tree | snapshot
2018-06-13 Berk HessRemove LINCS prints to log file commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamUse initializer lists for Lincs and Task commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamUse more containers and views for constraints code commit | commitdiff | tree | snapshot
2018-06-13 Berk HessPartial conversion of gmx_domdec_t to C++ commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamBump lmfit support to version 7 commit | commitdiff | tree | snapshot
2018-06-12 Mark AbrahamPrepare for GROMACS 2019 release notes commit | commitdiff | tree | snapshot
2018-06-12 David van der... Let gmx nmeig print thermochemistry. commit | commitdiff | tree | snapshot
2018-06-07 Paul BauerChange use of t_inpfile to std::vector commit | commitdiff | tree | snapshot
2018-06-07 Paul BauerRemove macros in input file reading commit | commitdiff | tree | snapshot
2018-06-07 Aleksei IupinovCompile most of PME GPU host code with OpenCL commit | commitdiff | tree | snapshot
2018-06-06 Berk HessClean up make_at2con commit | commitdiff | tree | snapshot
2018-06-06 Mark AbrahamMove IMD initialization and fuse DD setup commit | commitdiff | tree | snapshot
2018-06-06 Kevin BoydAdded to PME on GPU information in mdrun performance commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamMake proper BoxDeformation class commit | commitdiff | tree | snapshot
2018-06-05 Berk HessMake nbnxn_grid_t counts and sizes arrays commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamSeparate flexible constraint counting commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamMake Constraints a proper class commit | commitdiff | tree | snapshot
2018-06-04 Mark AbrahamUpdate Awh initialization and lifetime management commit | commitdiff | tree | snapshot
2018-06-04 Mark AbrahamRemove redundant shell-code fatal errors commit | commitdiff | tree | snapshot
2018-06-04 Szilárd PállFix timing of clFFT kernels commit | commitdiff | tree | snapshot
2018-06-04 Magnus LundborgWrite lambdas and box to TNG at correct intervals commit | commitdiff | tree | snapshot
2018-06-01 Kevin BoydCosmetic fixes to mdp documentation commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMerge pme.cu into pme-gpu-internal.cpp commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovPME OpenCL 3D FFT transform is implemented, using clFFT commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMove pme-timings.cu to pme-gpu-timings.cpp commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovPrefer linking to system clFFT rather than bundled one commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMove the PmeGpuSpecific structure into pme-gpu-types... commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovAdded the bundled clFFT into OpenCL builds commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovAdd GpuEventSynchronizer class commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovGather the PME GPU constants/macros in a single header commit | commitdiff | tree | snapshot
2018-05-30 Aleksei IupinovMake PME GPU structures use DeviceBuffer commit | commitdiff | tree | snapshot
2018-05-30 Roland SchulzFix MSAN build-type and error commit | commitdiff | tree | snapshot
2018-05-29 Szilárd PállSwitch to CUDA 9.2 + gcc 7 commit | commitdiff | tree | snapshot
2018-05-28 Aleksei IupinovSupport persistent device context-derived data in PME... commit | commitdiff | tree | snapshot
2018-05-25 Mark AbrahamClean up force.h and its use commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamRemove bDomDec from t_forcerec commit | commitdiff | tree | snapshot
2018-05-24 Berk HessFix grompp bug with blocks of same molecules commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamMove responsibility for bonded threading decomposition commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamRelocate GPU initialization for PME commit | commitdiff | tree | snapshot
2018-05-24 Berk HessSimplify idef_fe in calc_listed_lambda commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamReform Ewald-module cmake handling commit | commitdiff | tree | snapshot
2018-05-24 Berk HessChange nbs in nbv to std::unique commit | commitdiff | tree | snapshot
2018-05-24 Berk HessConvert gmx_domdec_master_t to C++ commit | commitdiff | tree | snapshot
2018-05-23 Mark AbrahamClean up PME testing commit | commitdiff | tree | snapshot
2018-05-23 Roland SchulzRename GMX_OCL_CLUSTER_SIZE to GMX_OCL_NB_CLUSTER_SIZE commit | commitdiff | tree | snapshot
2018-05-23 Berk HessSplit off collect.cpp from domdec.cpp commit | commitdiff | tree | snapshot
2018-05-23 Berk HessConvert nbnxn_search to C++ commit | commitdiff | tree | snapshot
2018-05-23 Kevin BoydRemoved "XXX non-matching atom names" Martini statement. commit | commitdiff | tree | snapshot
2018-05-22 Berk HessChange nbnxn grid reallocation commit | commitdiff | tree | snapshot
2018-05-22 Berk HessUse std::vector in nbnxn_search_t commit | commitdiff | tree | snapshot
2018-05-22 Berk HessUse std::vector in nbnxn_grid_t commit | commitdiff | tree | snapshot
2018-05-22 Kevin BoydCosmetic documentation changes commit | commitdiff | tree | snapshot
2018-05-22 Kevin BoydMinor fixes to mdrun performance documentation commit | commitdiff | tree | snapshot
2018-05-18 Berk HessClean up in nbnxn_grid.cpp commit | commitdiff | tree | snapshot
2018-05-18 Aleksei IupinovprepareGpuKernelArguments() and launchGpuKernel() are... commit | commitdiff | tree | snapshot
2018-05-17 Berk HessSplit off domdec distribution and cellsizes commit | commitdiff | tree | snapshot
2018-05-17 Berk HessSplit atom redistribution off from domdec.cpp commit | commitdiff | tree | snapshot
2018-05-17 Berk HessRemove commrec from set_ddbox() commit | commitdiff | tree | snapshot
2018-05-15 Roland SchulzAllow OCL CL_SIZE to be set to 4 for Intel commit | commitdiff | tree | snapshot
2018-05-15 Roland SchulzUse same OpenCL kernel for different Vendors commit | commitdiff | tree | snapshot
2018-05-15 Berk HessClean up PME domain count passing commit | commitdiff | tree | snapshot
2018-05-10 Carsten KutznerIntroduce helper classes for force provider input and... commit | commitdiff | tree | snapshot
2018-05-08 Aleksei IupinovImport clFFT library into the Gromacs source commit | commitdiff | tree | snapshot
2018-05-04 Paul BauerFix md -cpi -noappend commit | commitdiff | tree | snapshot
2018-05-04 Aleksei IupinovAdd clearDeviceBufferAsync() for CUDA/OpenCL commit | commitdiff | tree | snapshot
2018-05-04 Mark AbrahamMerge "Merge branch release-2018" commit | commitdiff | tree | snapshot
2018-05-04 Mark AbrahamMore const correctness commit | commitdiff | tree | snapshot
2018-05-03 Mark AbrahamMerge branch release-2018 commit | commitdiff | tree | snapshot
2018-05-03 Berk HessEnable SIMD version of update commit | commitdiff | tree | snapshot
2018-05-03 Aleksei IupinovCopy missing GPU NB host deallocations from OpenCL... commit | commitdiff | tree | snapshot
2018-05-03 Aleksei Iupinovreplace cu_copy_* calls with DeviceBuffer functions... commit | commitdiff | tree | snapshot
2018-05-02 Aleksei IupinovRename OpenCL host memory routines to match the CUDA... commit | commitdiff | tree | snapshot
2018-05-02 Roland SchulzEnable uncrustify for OpenCL commit | commitdiff | tree | snapshot
2018-05-02 Roland SchulzSupport 4 sized cluster for GPU NBL search commit | commitdiff | tree | snapshot
2018-04-27 Aleksei IupinovMake asize() a proper template function instead of... commit | commitdiff | tree | snapshot
2018-04-27 Paul BauerFix file reading in gmx sans commit | commitdiff | tree | snapshot
2018-04-27 Aleksei IupinovRename the asize variable to numAlignmentAtoms commit | commitdiff | tree | snapshot
2018-04-27 Berk HessRemove pull MPI code duplication commit | commitdiff | tree | snapshot
2018-04-26 Paul BauerReorganize files for reference manual commit | commitdiff | tree | snapshot
2018-04-26 Paul BauerSplit up analysis chapter in reference manual commit | commitdiff | tree | snapshot
2018-04-26 Szilárd PállBump required CUDA version to 7.0 commit | commitdiff | tree | snapshot
2018-04-26 Aleksei IupinovSeparate PME GPU host-only and host/device data structures commit | commitdiff | tree | snapshot
2018-04-26 Paul BauerSplit up special topics section in manual commit | commitdiff | tree | snapshot
2018-04-26 Aleksei IupinovAdd copyFromDeviceBuffer() CUDA/OpenCL implementations commit | commitdiff | tree | snapshot
2018-04-26 Mark AbrahamRevert "Tweak PME run mode checks" commit | commitdiff | tree | snapshot
2018-04-26 Paul BauerSplit up topology section in manual commit | commitdiff | tree | snapshot
2018-04-26 Paul BauerSplit up algorithms manual page commit | commitdiff | tree | snapshot
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