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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp
2019-10-01 Artem ZhmurovStatePropagatorDataGpu object to manage GPU forces... commit | commitdiff
2019-10-01 Berk HessCompletely remove charge groups commit | commitdiff
2019-09-30 Carsten KutznerMove ForceProviders class into the gmx namespace commit | commitdiff
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' commit | commitdiff
2019-09-24 Paul BauerMerge branch release-2019 into master commit | commitdiff
2019-09-19 Mark AbrahamUse GPU halo exchange only when compatible DD is available commit | commitdiff
2019-09-19 Berk HessAdd haveFreeEnergyWork to DomainLifetimeWorkload flags commit | commitdiff
2019-09-18 Szilárd PállSet up workload data structures commit | commitdiff
2019-09-18 Alan GrayGPU Force Halo Exchange commit | commitdiff
2019-09-16 Szilárd PállRefactor GPU buf ops-related launches in do_force() commit | commitdiff
2019-09-16 Alan GrayGPU halo exchange commit | commitdiff
2019-09-12 Szilárd PállReorganize on-GPU PME force reduction flag handling commit | commitdiff
2019-09-12 Berk HessEnable TPI with the Verlet cut-off scheme commit | commitdiff
2019-09-11 Artem ZhmurovDecouple GPU force buffer management from buffer ops... commit | commitdiff
2019-09-11 Artem ZhmurovDecouple coordinates buffer management from buffer... commit | commitdiff
2019-09-11 Artem ZhmurovReorganize PME code: commit | commitdiff
2019-09-10 Szilárd PállEliminate raw force flags in do_force_lowlevel() commit | commitdiff
2019-09-09 Szilárd PállPass gmx::ForceFlags to CPU nbnxm dispatch code commit | commitdiff
2019-09-09 Szilárd PállPass the new gmx::ForceFlags to the nbnxm module commit | commitdiff
2019-09-04 Szilárd PállCentralize more MD/force shedule flags commit | commitdiff
2019-08-28 Szilárd PállMove nonbonded GPU wait timing into the GPU module commit | commitdiff
2019-08-23 Mark AbrahamUpdate clang-tidy to clang version 8 commit | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 commit | commitdiff
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix commit | commitdiff
2019-08-20 Berk HessUse shiftForces in ForceOuputs commit | commitdiff
2019-08-20 Berk HessFix missing bonded forces with CUDA GPUs and DD commit | commitdiff
2019-08-16 Szilárd PállFix sim_util.cpp copyright header commit | commitdiff
2019-08-15 Alan GrayPME reduction for CUDA F buffer operations commit | commitdiff
2019-08-06 Berk HessAdd ForceWithShiftForces class commit | commitdiff
2019-08-05 Berk HessMake box const in do_force() commit | commitdiff
2019-08-05 Berk HessChange ForceOutputs to a class commit | commitdiff
2019-08-01 Berk HessRemove a pointer in t_forcerec commit | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master commit | commitdiff
2019-07-31 Szilárd PállStore wcycle pointer in nonbonded_verlet_t commit | commitdiff
2019-07-31 Szilárd PállFixes for F buffer ops change commit | commitdiff
2019-07-31 Szilárd PállMove cycle counting into the GPU bonded module commit | commitdiff
2019-07-31 Szilárd PállMove end of step GPU task launches to a function commit | commitdiff
2019-07-28 Berk HessRemoved generalized reaction-field commit | commitdiff
2019-07-19 Alan GrayF buffer operations in CUDA commit | commitdiff
2019-07-11 Szilárd PállUse HostVector for Grid/GridSet data need on-GPU commit | commitdiff
2019-07-01 Szilárd PállRefactor tracking of GPU short-range work/skipping commit | commitdiff
2019-07-01 Alan GrayBug fix and simplification for CUDA X Buffer Ops commit | commitdiff
2019-06-30 Szilárd PállCreate dedicated subcounter for nonbonded FEP commit | commitdiff
2019-06-28 Szilárd PállSeparate CPU NB kernel and buffer clearing subcounters commit | commitdiff
2019-06-28 Magnus LundborgFused GPU bonded kernels commit | commitdiff
2019-06-19 Berk HessRefactor PME atom handling commit | commitdiff
2019-06-18 Berk HessMake forcerec const in dispatchNonbondedKernel() commit | commitdiff
2019-06-14 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff
2019-05-10 Alan GrayPosition buffer ops in CUDA commit | commitdiff
2019-05-04 Berk HessRemove PME exclusion correction commit | commitdiff
2019-05-03 Berk HessConvert manage_threading_t and gmx_enerdata_t to C++ commit | commitdiff
2019-04-18 Berk HessRemove charge groups from domdec and localtop commit | commitdiff
2019-04-18 Mark AbrahamMove pull work struct out of inputrec commit | commitdiff
2019-04-16 Szilárd PállMove functions operating on enerdata out of force.cpp commit | commitdiff
2019-04-16 Szilárd PállGroup scheme related cleanup commit | commitdiff
2019-04-10 Mark AbrahamMake ImdSession into a Pimpl-ed class with factory... commit | commitdiff
2019-04-10 Mark AbrahamReform IMD module commit | commitdiff
2019-04-03 Mark AbrahamInitial deactivation of group scheme. commit | commitdiff
2019-04-02 Paul BauerRefactor gmx_group_t to SimulationAtomGroups commit | commitdiff
2019-03-28 Berk HessExtract nbnxm PairlistSets commit | commitdiff
2019-03-27 Prashanth KanduriMoving put_atoms_in_box_omp() to pbc.h commit | commitdiff
2019-03-27 Prashanth KanduriGetting rid of use_GPU(nbv) function commit | commitdiff
2019-03-26 Szilárd Pálldo_force_cutsVERLET cleanup commit | commitdiff
2019-03-19 Mark AbrahamUpdate ElectricField module commit | commitdiff
2019-03-19 Prashanth KanduriMove initialize_lambdas(...) to state commit | commitdiff
2019-03-18 Prashanth KanduriMoving do_constraints_first(...) to constr.h commit | commitdiff
2019-03-15 Berk HessChange nbnxn_search to class PairSearch commit | commitdiff
2019-03-13 Szilárd PállReorganize search-time code in do_force_cutsVERLET commit | commitdiff
2019-03-13 Szilárd PállAdd haveGpuBondedWork flag to PpForceWorkload commit | commitdiff
2019-03-13 Szilárd PállStart modularizing force workload setup commit | commitdiff
2019-03-07 Mark AbrahamEliminate mdlib/mdrun.h commit | commitdiff
2019-03-06 Mark AbrahamRevert "Eliminate mdlib/mdrun.h" commit | commitdiff
2019-03-06 Mark AbrahamEliminate mdlib/mdrun.h commit | commitdiff
2019-03-04 Paul BauerMerge "Merge branch release-2019" commit | commitdiff
2019-03-02 Szilárd PállEncapsulate force output setup in do_force_* commit | commitdiff
2019-03-02 Mark AbrahamMerge branch release-2019 commit | commitdiff
2019-03-01 Szilárd PállClarify force buffer setup code in do_force commit | commitdiff
2019-02-28 Berk HessUse unique_ptr in nonbonded_verlet_t commit | commitdiff
2019-02-27 Berk HessCollect dispersion correction code commit | commitdiff
2019-02-26 Prashanth KanduriMoving finish_run(...) to runner.cpp commit | commitdiff
2019-02-25 Prashanth KanduriMoving do_pbc_mtop(...) functions to pbcutils from... commit | commitdiff
2019-02-25 Mark AbrahamMove code out of sim_util.cpp commit | commitdiff
2019-02-23 Berk HessMove all nbnxm pruning details into module commit | commitdiff
2019-02-23 Berk HessHide internals of nbnxm parlist commit | commitdiff
2019-02-21 Berk HessMove free-energy kernel dispatch into nbnxm module commit | commitdiff
2019-02-21 Berk HessClean up nbnxm enums commit | commitdiff
2019-02-21 Berk HessSimplify make_pairlist() call signature commit | commitdiff
2019-02-20 Berk HessAdd havePPDomainDecomposition() commit | commitdiff
2019-02-20 Paul BauerMerge "Merge branch 'release-2019' into master" commit | commitdiff
2019-02-20 Berk HessRefactor DLB region handling commit | commitdiff
2019-02-20 Paul BauerMerge branch 'release-2019' into master commit | commitdiff
2019-02-17 Berk HessUse enum class for nbnxm locality commit | commitdiff
2019-02-17 Berk HessMove nbnxm details from sim_util.cpp to module commit | commitdiff
2019-02-16 Berk HessMove nbnxn files to nbnxm directory commit | commitdiff
2019-02-13 Mark AbrahamMake EnergyOutput wrapper class commit | commitdiff
2019-02-04 Roland SchulzRename all source files from - to _ for consistency. commit | commitdiff
2019-02-02 Roland SchulzRenamed listed-forces to listed_forces commit | commitdiff
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019 commit | commitdiff
2019-01-30 Szilárd PállFix double-increment of GPU NB launch subcounter commit | commitdiff
2019-01-23 Roland SchulzMerge release-2019 into master commit | commitdiff
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