Task assignment for bonded interactions on CUDA GPUs
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 11 Oct 2018 19:53:38 +0000 (21:53 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 16 Oct 2018 07:36:50 +0000 (09:36 +0200)
commita07e8b21025a4e429ff8ec61783c1ad17e9516a8
tree8188b8172ef2c8f96b46d578226ab12db8f00cec
parentca6ba370ce8725fdbfb9bbd1da645b39a297cfb3
Task assignment for bonded interactions on CUDA GPUs

Made a query function to find whether any interactions of supported
times exist in the global topology, so that we can make efficient
high-level decisions.

Added free for gpuBondedLists pointer.

Minor cleanup in manage-threading.h

Fixes #2679

Change-Id: I0ebbbd33c2cba5808561111b0ec6160bfd2f840d
16 files changed:
src/api/cpp/context.cpp
src/gromacs/ewald/pme.h
src/gromacs/listed-forces/manage-threading.cpp
src/gromacs/listed-forces/manage-threading.h
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdrun/legacymdrunoptions.h
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrun/runner.h
src/gromacs/taskassignment/decidegpuusage.cpp
src/gromacs/taskassignment/decidegpuusage.h
src/gromacs/taskassignment/reportgpuusage.cpp
src/gromacs/taskassignment/reportgpuusage.h
src/gromacs/taskassignment/taskassignment.cpp
src/gromacs/taskassignment/taskassignment.h
src/programs/mdrun/mdrun.cpp