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alexxy/gromacs.git
2017-08-29 Szilárd PállAvoid division by zero is pruning part calculation commit | commitdiff | tree | snapshot
2017-08-29 Aleksei IupinovAdjust PME LJ solver test input coefficient commit | commitdiff | tree | snapshot
2017-08-28 Roland SchulzEnable unused function warning commit | commitdiff | tree | snapshot
2017-08-28 Erik LindahlImproved SIMD test data to use all bits commit | commitdiff | tree | snapshot
2017-08-28 Berk HessAvoid bonded forces loops/timers on inputs with no... commit | commitdiff | tree | snapshot
2017-08-23 Mark AbrahamStopped checkpoint influencing parallelism setup commit | commitdiff | tree | snapshot
2017-08-22 Mark AbrahamRun GPU detection even for mdrun -nb cpu commit | commitdiff | tree | snapshot
2017-08-22 Mark AbrahamFixed thread-MPI with non-default -npme commit | commitdiff | tree | snapshot
2017-08-22 Mark AbrahamFix missing declaration of GMX_UNUSED_VALUE commit | commitdiff | tree | snapshot
2017-08-22 Aleksei IupinovSeparate PME spread and gather wallcycle counters commit | commitdiff | tree | snapshot
2017-08-22 Berk HessEnable dynamic pair list pruning commit | commitdiff | tree | snapshot
2017-08-22 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-08-21 Teemu MurtolaSimple union-find structure commit | commitdiff | tree | snapshot
2017-08-21 Mark AbrahamMoved increase_nstlist() to nbnxn_tuning.h commit | commitdiff | tree | snapshot
2017-08-21 Aleksei IupinovPME solving tests commit | commitdiff | tree | snapshot
2017-08-21 Mark AbrahamFix compilation issues with ARM SIMD commit | commitdiff | tree | snapshot
2017-08-21 Szilárd PállAdd OpenCL pruning kernels and launch/timing logic commit | commitdiff | tree | snapshot
2017-08-18 Szilárd PállImprove awkward handling of GMX_CUDA_TARGET* help commit | commitdiff | tree | snapshot
2017-08-18 Vedran MiletićImprove the "files not present" error message commit | commitdiff | tree | snapshot
2017-08-18 Szilárd PállAdd CUDA pruning kernels and launch/timing logic commit | commitdiff | tree | snapshot
2017-08-18 Berk HessAdd CPU reference and SIMD pruning kernels commit | commitdiff | tree | snapshot
2017-08-17 Aleksei IupinovMerge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2017-08-17 Mark AbrahamReplace consistency checking with assertion commit | commitdiff | tree | snapshot
2017-08-16 Berk HessAdd dynamic pair-list pruning framework commit | commitdiff | tree | snapshot
2017-08-16 Berk HessClean up nbnxn cluster pair addition code commit | commitdiff | tree | snapshot
2017-08-16 Mark AbrahamParse user-supplied GPU task assignment only when needed commit | commitdiff | tree | snapshot
2017-08-16 Mark AbrahamRemove duplicate GPU non-usage hint commit | commitdiff | tree | snapshot
2017-08-16 Mark AbrahamMoved logging functionality into GPU usage report commit | commitdiff | tree | snapshot
2017-08-15 Berk HessAdd OpenMP for orientation restraints commit | commitdiff | tree | snapshot
2017-08-15 Berk HessUse graph with orientation restraints commit | commitdiff | tree | snapshot
2017-08-15 Vedran MiletićMigrate some of the terminology pages commit | commitdiff | tree | snapshot
2017-08-15 Vedran MiletićMigrate the documentation of the run-time errors commit | commitdiff | tree | snapshot
2017-08-15 David van der... Worked around missing OpenMP implementation in orires. commit | commitdiff | tree | snapshot
2017-08-15 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2017-08-15 Jiri KrausCUDA 9/Volta support for the nonbonded module commit | commitdiff | tree | snapshot
2017-08-15 Mark AbrahamFix value of Ewald shift commit | commitdiff | tree | snapshot
2017-08-12 Berk HessRemove loop over all atoms in init_mdatoms commit | commitdiff | tree | snapshot
2017-08-10 Mark AbrahamClarify data flow in GPU task assignment commit | commitdiff | tree | snapshot
2017-08-10 Carsten KutznerCorrected the PDF manual to reflect that all tools... commit | commitdiff | tree | snapshot
2017-08-09 Roland SchulzUse table Ewald for Skylake commit | commitdiff | tree | snapshot
2017-08-07 Mark AbrahamFix include dependency for getenv commit | commitdiff | tree | snapshot
2017-08-07 Mark AbrahamSimplified handling of GPU device IDs commit | commitdiff | tree | snapshot
2017-08-06 Mark AbrahamSimplify resource-division efficiency check commit | commitdiff | tree | snapshot
2017-08-06 Mark AbrahamSplit printhardware from detecthardware commit | commitdiff | tree | snapshot
2017-08-06 Mark AbrahamDecouple task assignment from task execution commit | commitdiff | tree | snapshot
2017-08-06 Mark AbrahamRemoved unused host-side allocation code commit | commitdiff | tree | snapshot
2017-08-04 Mark AbrahamStop using hwinfo_g for reporting code commit | commitdiff | tree | snapshot
2017-08-03 Mark AbrahamRemoved unused include statements commit | commitdiff | tree | snapshot
2017-08-03 Berk HessFix orientation restraint reference commit | commitdiff | tree | snapshot
2017-08-03 David van der... Fixed bug in gmx disres indexing arrays. commit | commitdiff | tree | snapshot
2017-08-03 Berk HessAdd check for nr of orientation restraints commit | commitdiff | tree | snapshot
2017-08-03 Berk HessFix bugs with orientation restraints commit | commitdiff | tree | snapshot
2017-08-03 Carsten KutznerAdded missing .mdp file documentation for the enforced... commit | commitdiff | tree | snapshot
2017-08-02 Berk HessClean up matrix inversion commit | commitdiff | tree | snapshot
2017-08-02 Berk HessFix orientation restraint reference commit | commitdiff | tree | snapshot
2017-08-02 David van der... Worked around missing OpenMP implementation in orires. commit | commitdiff | tree | snapshot
2017-08-02 Berk HessMake loop variables in orires.cpp local commit | commitdiff | tree | snapshot
2017-08-02 Berk HessAdd check for nr of orientation restraints commit | commitdiff | tree | snapshot
2017-08-01 Mark AbrahamIntroduced Mdrunner high-level class commit | commitdiff | tree | snapshot
2017-07-28 David van der... Added unit-test for orientation restraints output. commit | commitdiff | tree | snapshot
2017-07-27 M. Eric IrrgangProvide STL make_unique template function. commit | commitdiff | tree | snapshot
2017-07-27 Mark AbrahamEnhance cmake and releng handling of GMX_USE_RDTSCP commit | commitdiff | tree | snapshot
2017-07-27 Szilárd PállInform users about the end of run DLB state commit | commitdiff | tree | snapshot
2017-07-25 Berk HessFix bugs with orientation restraints commit | commitdiff | tree | snapshot
2017-07-24 Mark AbrahamSeparated responsibility for consistency checking commit | commitdiff | tree | snapshot
2017-07-24 Mark AbrahamRemove unnecessary GPU checking code commit | commitdiff | tree | snapshot
2017-07-20 Mark AbrahamCleaned up bUseGpu in runner commit | commitdiff | tree | snapshot
2017-07-20 Peter KassonRework and rename gmx_select_gpu_ids commit | commitdiff | tree | snapshot
2017-07-20 Mark AbrahamStop duplicate printing of detected GPUs commit | commitdiff | tree | snapshot
2017-07-20 Mark AbrahamFix use of GMX_SIMD in own-fftw build commit | commitdiff | tree | snapshot
2017-07-19 David van der... Removed unnecessary static declarations for command... commit | commitdiff | tree | snapshot
2017-07-19 Mark AbrahamMade post-submit config to test clang+openmp. commit | commitdiff | tree | snapshot
2017-07-19 David van der... Fixed test-order dependency in gmxpreprocess tests. commit | commitdiff | tree | snapshot
2017-07-19 David van der... Fix non-reproducability of clustsize tests. commit | commitdiff | tree | snapshot
2017-07-19 Mark AbrahamImprove CMake implementation for GMX_SIMD commit | commitdiff | tree | snapshot
2017-07-19 Teemu MurtolaPrune unnecessary cells in analysis nbsearch commit | commitdiff | tree | snapshot
2017-07-18 Mark AbrahamConverted some const pointers into const references... commit | commitdiff | tree | snapshot
2017-07-18 Mark AbrahamEliminated pick_nbnxn_resources commit | commitdiff | tree | snapshot
2017-07-17 Teemu MurtolaFix hwloc detection commit | commitdiff | tree | snapshot
2017-07-14 Mark AbrahamImplemented grompp -po for options-style mdp handling commit | commitdiff | tree | snapshot
2017-07-14 Mark AbrahamClean up cmake build host detection commit | commitdiff | tree | snapshot
2017-07-13 Mark AbrahamClean up gmx_mdrun() commit | commitdiff | tree | snapshot
2017-07-13 Mark AbrahamCleaned up mdrunner_start_threads commit | commitdiff | tree | snapshot
2017-07-13 Mark AbrahamMore updates to testing matrix commit | commitdiff | tree | snapshot
2017-07-11 Vedran MiletićFix formatting of gmx msd Description commit | commitdiff | tree | snapshot
2017-07-11 Roland SchulzPME-gather: make variables local and const commit | commitdiff | tree | snapshot
2017-07-11 Teemu MurtolaSupport scoped key-value tree transform rules commit | commitdiff | tree | snapshot
2017-07-10 Carsten KutznerAdded missing .mdp file documentation for the enforced... commit | commitdiff | tree | snapshot
2017-07-09 Berk HessRestructure the load balancing timing commit | commitdiff | tree | snapshot
2017-07-07 Mark AbrahamRefactor error handling in init_gpu commit | commitdiff | tree | snapshot
2017-07-06 Mark AbrahamSimplify gmx_gpu_opt_t commit | commitdiff | tree | snapshot
2017-07-06 Teemu MurtolaDetect unknown mdp options in gmx dump/check commit | commitdiff | tree | snapshot
2017-07-04 Berk HessUnify nbnxn kernel dispatchers commit | commitdiff | tree | snapshot
2017-07-04 Mark AbrahamClean up pick_nbnxn_resources commit | commitdiff | tree | snapshot
2017-07-03 Berk HessRemove gmx_constexpr commit | commitdiff | tree | snapshot
2017-07-01 Mark AbrahamCleaned up GPU emulation logic commit | commitdiff | tree | snapshot
2017-06-30 Aleksei IupinovRemove outdated cmake nvcc logic commit | commitdiff | tree | snapshot
2017-06-30 M. Eric IrrgangMark unmodified input parameter as const. commit | commitdiff | tree | snapshot
2017-06-30 Teemu MurtolaFix boolean serialization commit | commitdiff | tree | snapshot
2017-06-30 Teemu MurtolaExtend key-value tree comparison and tests commit | commitdiff | tree | snapshot
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