Set up workload data structures
authorSzilárd Páll <pall.szilard@gmail.com>
Fri, 13 Sep 2019 00:02:45 +0000 (02:02 +0200)
committerSzilárd Páll <pall.szilard@gmail.com>
Wed, 18 Sep 2019 15:17:40 +0000 (17:17 +0200)
commit9ee5f77f56ecdbaa9e57cf65e40631f7b6065af0
tree7e0651bb968330b45098257fc2a63082e4739441
parent54c2472992b082d43bc020a0165d47a64165991e
Set up workload data structures

This change estabilishes three data structures for describing the
computational workload within a run. Flags related to the workload are
categorized in three groups based on their lifetime:
- per-step flags in the StepWorkload class
- domain liftime / nslist steps in DomainLifetimeWorkload
- constant over the entire simulation in SimulationWorkload

The present change only introduces naming by: renaming of the
former ForceFlags to StepWorkload and PpForceWorkload to
DomainLifetimeWorkload.

Moving flags from e.g. the force schedule into these will follow.

Change-Id: I2bcc911091e2dd8ca0bcbf53a40dfcda09ba368b
36 files changed:
src/gromacs/ewald/pme_gpu.cpp
src/gromacs/listed_forces/gpubonded.h
src/gromacs/listed_forces/gpubonded_impl.cpp
src/gromacs/listed_forces/gpubondedkernels.cu
src/gromacs/listed_forces/listed_forces.cpp
src/gromacs/listed_forces/listed_forces.h
src/gromacs/listed_forces/pairs.cpp
src/gromacs/listed_forces/pairs.h
src/gromacs/mdlib/force.cpp
src/gromacs/mdlib/force.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/isimulator.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrun/shellfc.cpp
src/gromacs/mdrun/shellfc.h
src/gromacs/mdrun/simulatorbuilder.h
src/gromacs/mdrun/tpi.cpp
src/gromacs/mdtypes/simulation_workload.h [moved from src/gromacs/mdlib/ppforceworkload.h with 60% similarity]
src/gromacs/modularsimulator/forceelement.cpp
src/gromacs/modularsimulator/forceelement.h
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/shellfcelement.cpp
src/gromacs/modularsimulator/shellfcelement.h
src/gromacs/nbnxm/benchmark/bench_setup.cpp
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
src/gromacs/nbnxm/gpu_common.h
src/gromacs/nbnxm/kerneldispatch.cpp
src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp
src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.h
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/nbnxm_gpu.h
src/gromacs/nbnxm/opencl/nbnxm_ocl.cpp