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(parent: 9ad561b) | patch
Centralize more MD/force shedule flags
authorSzilárd Páll <pall.szilard@gmail.com>
Thu, 20 Jun 2019 18:54:01 +0000 (20:54 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Wed, 4 Sep 2019 08:36:23 +0000 (10:36 +0200)
commit75fa536e7114f649a5c3a4665941445724f2e8f9
treeda049348511912c1e6bc3d9dc9b6224977616b53tree | snapshot
parent9ad561b1b471ed841558b15aa8465596b0a29354commit | diff
Centralize more MD/force shedule flags

This change creates an MdScheduleWorkload top-level class to store
information related to per-step, per search-phase, or per run schedule
information and moving the previous PpForceWorkload call into it.

This change also migrates force flags bitmask into a new class
stored in the MdWorkload class.

Change-Id: I142a76d9515e82b16b9a4100ffb00469d7f3d3c2
19 files changed:
src/gromacs/listed_forces/gpubonded.h diff | blob | history
src/gromacs/listed_forces/gpubonded_impl.cpp diff | blob | history
src/gromacs/listed_forces/gpubondedkernels.cu diff | blob | history
src/gromacs/mdlib/force.h diff | blob | history
src/gromacs/mdlib/ppforceworkload.h diff | blob | history
src/gromacs/mdlib/sim_util.cpp diff | blob | history
src/gromacs/mdrun/isimulator.h diff | blob | history
src/gromacs/mdrun/md.cpp diff | blob | history
src/gromacs/mdrun/mimic.cpp diff | blob | history
src/gromacs/mdrun/minimize.cpp diff | blob | history
src/gromacs/mdrun/rerun.cpp diff | blob | history
src/gromacs/mdrun/runner.cpp diff | blob | history
src/gromacs/mdrun/shellfc.cpp diff | blob | history
src/gromacs/mdrun/shellfc.h diff | blob | history
src/gromacs/mdrun/simulatorbuilder.h diff | blob | history
src/gromacs/mdrun/tpi.cpp diff | blob | history
src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu diff | blob | history
src/gromacs/nbnxm/gpu_data_mgmt.h diff | blob | history
src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp diff | blob | history
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