Gromacs
2019
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#include <gromacs/mdlib/ppforceworkload.h>
Manage what force calculation work is required each step.
An object of this type is updated every neighbour search stage to reflect what work is required during normal MD steps, 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 this MD step has bonded work to run on a GPU. | |