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gmx::SimulationWorkload Class Reference

#include <gromacs/mdtypes/simulation_workload.h>

Description

Manage what computation is required during the simulation.

Holds information on the type of workload constant for the entire simulation, and independent of the particle interactions handled on any specific domain.

An object of this type is constructed at the beginning of the simulation and is expected to not change. Additionally, the initialization is uniform across ranks of a simulation, even with MPMD decomposition and separate PME ranks.

Public Attributes

bool useCpuNonbonded = false
 If we have calculation of short range nonbondeds on CPU.
 
bool useGpuNonbonded = false
 If we have calculation of short range nonbondeds on GPU.
 
bool useCpuPme = false
 If we have calculation of long range PME in GPU.
 
bool useGpuPme = false
 If we have calculation of long range PME in GPU.
 
bool useGpuPmeFft = false
 If PME FFT solving is done on GPU.
 
bool useGpuBonded = false
 If bonded interactions are calculated on GPU.
 
bool useGpuUpdate = false
 If update and constraint solving is performed on GPU.
 
bool useGpuBufferOps = false
 If buffer operations are performed on GPU.
 
bool useGpuHaloExchange = false
 If domain decomposition halo exchange is performed on GPU.
 
bool useGpuPmePpCommunication = false
 If direct PP-PME communication between GPU is used.
 
bool useGpuDirectCommunication = false
 If direct GPU-GPU communication is enabled.
 
bool haveEwaldSurfaceContribution = false
 If there is an Ewald surface (dipole) term to compute.
 

The documentation for this class was generated from the following file: