biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Remove unused thole polarization rfac parameter
[alexxy/gromacs.git] / src / gromacs / nbnxm /
2021-11-03 Andrey AlekseenkoSYCL: Use acc.bind(cgh) instead of cgh.require(acc) tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-06 Andrey AlekseenkoSYCL: Add missing barrier to NBNXM energy reduction tree | commitdiff
2021-10-01 Roland SchulzSYCL: remove (un)flatten tree | commitdiff
2021-09-30 Berk HessPad RVec force buffer in ThreadForceBuffer tree | commitdiff
2021-09-29 Magnus LundborgSIMD support for nonbonded free-energy kernels tree | commitdiff
2021-09-29 Szilárd PállAllow disabling cj prefetch in the CUDA nbnxm kernels tree | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function tree | commitdiff
2021-09-24 Berk HessAlso use DD partitioning in serial tree | commitdiff
2021-09-17 Andrey AlekseenkoSYCL: prepareGpuKernelArgument/launchGpuKernel tree | commitdiff
2021-09-16 Artem ZhmurovMiscellaneous doxygen fixes tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-28 Andrey AlekseenkoGet rid of sycl::buffer::reinterpret tree | commitdiff
2021-08-28 Andrey AlekseenkoSYCL: Fully switch to atomic_ref tree | commitdiff
2021-08-26 Andrey AlekseenkoAdd missing Doxygen for SYCL functions and some others tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-16 Artem ZhmurovAdd common header to GpuEventSynchronizer tree | commitdiff
2021-08-13 Mark AbrahamProvide better defaults for GMX_GPU_NB_CLUSTER_SIZE... tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-24 Andrey AlekseenkoSYCL NBNXM: Use hand-crafted energy reduction tree | commitdiff
2021-06-18 Andrey AlekseenkoUpdate device detection code for hipSYCL tree | commitdiff
2021-06-17 Andrey AlekseenkoSYCL: Reduce the number of atomic ops in NBNXM fShift... tree | commitdiff
2021-06-17 Mark AbrahamRework -Weverything tree | commitdiff
2021-06-11 Andrey AlekseenkoSYCL: Shorten mangled kernel name types tree | commitdiff
2021-06-09 Andrey AlekseenkoRemove some unused-but-set variables tree | commitdiff
2021-06-09 Joe JordanExpose and test getVdwKernelType tree | commitdiff
2021-06-09 Paul BauerAdd .clang-tidy file for nbnxn tests tree | commitdiff
2021-06-08 Joe JordanCoulombKernelType enum, lookup function, and tests tree | commitdiff
2021-06-04 Mark AbrahamConvert atomInfo to int64_t tree | commitdiff
2021-06-03 Mark AbrahamRemove preprocessor usage for atomInfo tree | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu tree | commitdiff
2021-05-26 Mark AbrahamFix clang-format tree | commitdiff
2021-05-26 ejjordanRemove foreign energy groups from gmx_enerdata_t tree | commitdiff
2021-05-26 Szilárd PállImplement generic j-reduction in the nbnxm SYCL kernels tree | commitdiff
2021-05-24 Paul BauerApply clang-tidy-11 fixes to CUDA files tree | commitdiff
2021-05-24 Joe JordanRemove forcerec from dispatchFreeEnergyKernel signature tree | commitdiff
2021-05-20 Artem ZhmurovUse MessageStringCollector class to construct error... tree | commitdiff
2021-05-17 Artem ZhmurovMove the stub for X buffer ops into OpenCL tree | commitdiff
2021-05-17 Artem ZhmurovMake NBNXM force getter available in all backends tree | commitdiff
2021-05-14 Artem ZhmurovRemove extra device force getter from NBNXM tree | commitdiff
2021-05-11 Artem ZhmurovFix compiler warning and use static_assert tree | commitdiff
2021-05-11 Mark AbrahamApply clang-format-11 tree | commitdiff
2021-05-10 Andrey AlekseenkoAdd SYCL implementation of GPU X buffer operations tree | commitdiff
2021-05-10 Andrey AlekseenkoMake GPU X buffer ops platform-agnostic tree | commitdiff
2021-05-07 Berk HessMake debug printing work with empty domains tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-05 Joe JordanPass ArrayRefs to dispatchNonbondedKernel tree | commitdiff
2021-04-27 ejjordanRemove leftover function declaration from nbnxm atomdata tree | commitdiff
2021-04-27 Joe JordanUnify constructor of nbnxn_atomdata_t tree | commitdiff
2021-04-21 Szilárd PállFix nbnxm hipSYCL kernels 64-wide exec on AMD tree | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads tree | commitdiff
2021-04-14 Joe JordanPass forcerec arguments instead of forcerec to gmx_nb_f... tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-04-13 Joe JordanUse array for term and foreign_term in gmx_enerdata_t tree | commitdiff
2021-04-12 Joe JordanReplace defines with constexpr in ishift tree | commitdiff
2021-04-12 Artem ZhmurovClean some headers in NBNXM GPU tree | commitdiff
2021-04-10 ejjordanMinor forcerec cleanup tree | commitdiff
2021-04-03 Artem ZhmurovRename NBAtomData into NBAtomDataGpu tree | commitdiff
2021-03-31 Artem ZhmurovUnify gpu_free(...) function in OpenCL, CUDA and SYCL... tree | commitdiff
2021-03-31 Artem ZhmurovFix conditional on when DtoH forces copy occur tree | commitdiff
2021-03-30 Artem ZhmurovUse default constructor for the device buffers that... tree | commitdiff
2021-03-30 kanduriTurn t_forcerec.shift_vec into an std::vector of gmx... tree | commitdiff
2021-03-27 Andrey AlekseenkoAvoid enqueueing the same event multiple times in nbnxn... tree | commitdiff
2021-03-26 Joe JordanUse ArrayRefs instead of mdatoms in gmx_nb_free_energy_... tree | commitdiff
2021-03-26 Szilárd PállAllow setting nbnxm cluster size for SYCL tree | commitdiff
2021-03-25 Artem ZhmurovUnify gpu_upload_shiftvec(...) function in NBNXM tree | commitdiff
2021-03-25 ejjordanArrayRef and const ref in gmx_nb_free_energy_kernel tree | commitdiff
2021-03-24 Andrey AlekseenkoUnify nbnxn_gpu_init_x_to_nbat_x tree | commitdiff
2021-03-24 ejjordanRemove nb_kernel_data_t tree | commitdiff
2021-03-24 ejjordanRemove unneeded members from nb_kernel_data_t tree | commitdiff
2021-03-22 Andrey AlekseenkoRemove incorrect assertion for GPU timing in SYCL tree | commitdiff
2021-03-21 Artem ZhmurovMove the atomToInteractionLocality(...) into locality.h tree | commitdiff
2021-03-19 Artem ZhmurovUnify init_gpu function in NBNXM tree | commitdiff
2021-03-19 Joe JordanMake non bonded energy terms enum class tree | commitdiff
2021-03-17 Andrey AlekseenkoUse DeviceBuffer in GPU update and NBNXM code tree | commitdiff
2021-03-16 Artem ZhmurovUnify gpu_init_atomdata(...) function tree | commitdiff
2021-03-16 Artem ZhmurovUnify gpu_launch_cpyback(...) function in NBNXM tree | commitdiff
2021-03-16 Artem ZhmurovUnify gpu_init_atomdata(...) function tree | commitdiff
2021-03-15 Artem ZhmurovMove pmalloc(..)/pfree(...) to separate source files... tree | commitdiff
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-15 Artem ZhmurovDo not overallocate shiftVec and fshifts buffers in... tree | commitdiff
2021-03-11 Artem ZhmurovUnify insertNonLocalDependency(...) function in NBNXM tree | commitdiff
2021-03-10 Artem ZhmurovRework atom locality validity checks tree | commitdiff
2021-03-10 Joe JordanRemove param fillLocal, which was always false, from... tree | commitdiff
2021-03-10 Andrey AlekseenkoRevert "Wrap more device pointers in DeviceBuffer"... tree | commitdiff
2021-03-10 Andrey AlekseenkoWrap more device pointers in DeviceBuffer tree | commitdiff
2021-03-09 Artem ZhmurovUnify gpu_copy_xq_to_gpu(...) function tree | commitdiff
2021-03-05 Andrey AlekseenkoFix typo introduced during nbfp_comb refactoring tree | commitdiff
2021-03-05 Szilárd PállClarify the SYCL subgroup size on different targets tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-04 Szilárd Páll Simplify LJ parameter lookup tree | commitdiff
2021-03-02 Andrey AlekseenkoSet up build with hipSYCL tree | commitdiff
2021-02-24 Artem ZhmurovUse GpuTimers in CUDA and OpenCL versions of NBNXM... tree | commitdiff
2021-02-23 Artem ZhmurovUse getAtomRanges(...) function in NBNXM more tree | commitdiff
2021-02-22 Joe JordanHold unique_ptr for interaction_const in forcerec tree | commitdiff
2021-02-22 ejjordanremove InteractionLocality from PairListSet constructor tree | commitdiff
2021-02-22 Artem ZhmurovUnify NB atoms and staging data structures in OpenCL... tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-22 Artem ZhmurovAdd FloatN aliases to OpenCL and use them in NBNXM tree | commitdiff
next
Local GROMACS mirror with custom stuff