Gromacs
2020-beta1
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#include <gromacs/mdtypes/simulation_workload.h>
Manage computational work that has the lifetime of decomposition.
An object of this type is updated every decomposition step (i.e. domain decomposition / neighbour search) reflecting what work is required during the lifetime of a domain. e.g. whether there are bonded interactions in this PP task.
This will remove the desire for inline getters from modules that describe whether they have work to do, because that can be set up once per simulation or neighborlist lifetime and not changed thereafter.
Public Attributes | |
bool | haveGpuBondedWork = false |
Whether the current nstlist step-range has bonded work to run on a GPU. | |
bool | haveCpuBondedWork = false |
Whether the current nstlist step-range has bonded work to run on he CPU. | |
bool | haveRestraintsWork = false |
Whether the current nstlist step-range has restraints work to run on he CPU. | |
bool | haveCpuListedForceWork = false |
Whether the current nstlist step-range has listed forces work to run on he CPU. | |
bool | haveSpecialForces = false |
Whether the current nstlist step-range has special forces on the CPU. | |
bool | haveFreeEnergyWork = false |
Whether the current nstlist step-range Free energy work on the CPU. | |