SIMD support for nonbonded free-energy kernels
authorMagnus Lundborg <magnus.lundborg@scilifelab.se>
Wed, 29 Sep 2021 09:16:19 +0000 (09:16 +0000)
committerBerk Hess <hess@kth.se>
Wed, 29 Sep 2021 09:16:19 +0000 (09:16 +0000)
commitc8888c9f87f6cbc4be65a815afe9041a993fb689
tree59cfaca243da9be88cdf2b9737cc5847840f7b66
parentc74aea91b6959cc4389953814073c72d32ca5ee6
SIMD support for nonbonded free-energy kernels
15 files changed:
docs/release-notes/2022/major/highlights.rst
docs/release-notes/2022/major/performance.rst
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/gmxlib/nonbonded/nb_free_energy.h
src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/nbnxm/CMakeLists.txt
src/gromacs/nbnxm/freeenergydispatch.cpp [new file with mode: 0644]
src/gromacs/nbnxm/freeenergydispatch.h [new file with mode: 0644]
src/gromacs/nbnxm/kerneldispatch.cpp
src/gromacs/nbnxm/nbnxm.cpp
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_setup.cpp
src/gromacs/timing/wallcycle.cpp
src/gromacs/timing/wallcycle.h