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alexxy/gromacs.git
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
2018-04-25 Paul BauerAdd page breaks in reference manual commit | commitdiff | tree | snapshot
2018-04-25 Paul BauerSplit up Interaction functions manual page commit | commitdiff | tree | snapshot
2018-04-25 Mark AbrahamRefactor SD update commit | commitdiff | tree | snapshot
2018-04-25 Paul BauerChange image conversion to only be build once commit | commitdiff | tree | snapshot
2018-04-24 Berk HessFix indexing issue in the pull code commit | commitdiff | tree | snapshot
2018-04-23 Aleksei IupinovRemoved cu_realloc_buffered() in favor of reallocateDev... commit | commitdiff | tree | snapshot
2018-04-23 Aleksei IupinovDeviceBuffer headers are added commit | commitdiff | tree | snapshot
2018-04-23 Szilárd PállFix icc warning in post-submit commit | commitdiff | tree | snapshot
2018-04-21 Szilárd PállAdd post-submit with ARM HPC Toolchain commit | commitdiff | tree | snapshot
2018-04-21 Szilárd PállTweak PME run mode checks commit | commitdiff | tree | snapshot
2018-04-21 Paul BauerConvert manual from LaTeX to Markup commit | commitdiff | tree | snapshot
2018-04-21 Paul BauerSecond change tracking commit commit | commitdiff | tree | snapshot
2018-04-21 Paul BauerIntermediate commit to track changes to manual commit | commitdiff | tree | snapshot
2018-04-20 Szilárd PállMinor fix for pre-submit matrix docs commit | commitdiff | tree | snapshot
2018-04-19 Szilárd PállMove the PME GPU clearing to the end of the step commit | commitdiff | tree | snapshot
2018-04-18 Mark AbrahamIntroduce gmx_used_in_debug commit | commitdiff | tree | snapshot
2018-04-18 Paul BauerRemove obsolete variable prec gro file output commit | commitdiff | tree | snapshot
2018-04-17 Viveca LindahlDisallow -skip values <= 0 for gmx trjconv. commit | commitdiff | tree | snapshot
2018-04-17 Paul BauerFix legacy topology memory error commit | commitdiff | tree | snapshot
2018-04-17 Mark AbrahamShift per-step control logic to do_md commit | commitdiff | tree | snapshot
2018-04-17 Mark AbrahamBreak apart update_constraints commit | commitdiff | tree | snapshot
2018-04-16 Szilárd PállAdd post-submit test with hwloc off commit | commitdiff | tree | snapshot
2018-04-16 Berk HessMove natoms_mol out of gmx_molblock_t commit | commitdiff | tree | snapshot
2018-04-16 Mark AbrahamUpdated mdrun comparison infrastructure commit | commitdiff | tree | snapshot
2018-04-13 Szilárd PállUse trivalue option for GMX_HWLOC commit | commitdiff | tree | snapshot
2018-04-13 Mark AbrahamMerge branch release-2018 commit | commitdiff | tree | snapshot
2018-04-13 Mark AbrahamClean up constraints code commit | commitdiff | tree | snapshot
2018-04-12 Aleksei IupinovMake in-source OpenCL kernel path a per-module parameter commit | commitdiff | tree | snapshot
2018-04-12 Mark AbrahamRemove use of where(), if DEBUG etc. commit | commitdiff | tree | snapshot
2018-04-12 Aleksei IupinovRemove CUDA_FUNC macros from many functions in PME GPU commit | commitdiff | tree | snapshot
2018-04-12 Aleksei IupinovStop PME GPU code from compiling on non-CUDA builds commit | commitdiff | tree | snapshot
2018-04-12 Mark AbrahamReorganize energy evaluation for EM commit | commitdiff | tree | snapshot
2018-04-10 Aleksei IupinovPrevent OpenCL timing memory leak commit | commitdiff | tree | snapshot
2018-04-10 Viveca LindahlMinor text edits and fix of broken link in user guide. commit | commitdiff | tree | snapshot
2018-04-09 Berk HessConvert gmx_molblock_t to C++ commit | commitdiff | tree | snapshot
2018-04-05 Mark AbrahamSimplified handling of simulation runners commit | commitdiff | tree | snapshot
2018-04-05 Mark AbrahamCreate gromacs/mdrun module and move code there commit | commitdiff | tree | snapshot
2018-04-05 Szilárd PállRefactor cj preload in the nonbonded OpenCL kernels commit | commitdiff | tree | snapshot
2018-04-04 Mark AbrahamQuiet checkpoint reading commit | commitdiff | tree | snapshot
2018-04-04 Pascal MerzMove checkNumberOfBondedInteractions commit | commitdiff | tree | snapshot
2018-04-03 Berk HessConvert gmx_mtop_t to C++ commit | commitdiff | tree | snapshot
2018-04-03 Mark AbrahamRemove leftover mention of twin-range scheme commit | commitdiff | tree | snapshot
2018-04-03 Mark AbrahamMerge "Merge branch release-2018" commit | commitdiff | tree | snapshot
2018-04-03 Berk HessChange warninp filenm to std::string commit | commitdiff | tree | snapshot
2018-04-03 Berk HessDo not calculate COM for pull group 0 commit | commitdiff | tree | snapshot
2018-03-29 Berk HessMove file opening out of init_pull() commit | commitdiff | tree | snapshot
2018-03-29 Szilárd PállTweak/enable icc 18 post-submit tests commit | commitdiff | tree | snapshot
2018-03-29 Magnus LundborgImproved check of if only forces are computed in do_pairs() commit | commitdiff | tree | snapshot
2018-03-29 Paul BauerFix cmake Sphinx detection for versions >1.6.4 commit | commitdiff | tree | snapshot
2018-03-29 Szilárd PállSwitch CUDA 9.0/gcc 5 test to CUDA 9.1/gcc 6 commit | commitdiff | tree | snapshot
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