NumVelocityScalingValues numEndVelocityScalingValues>
void Propagator<IntegrationStep::PositionsOnly>::run()
{
- wallcycle_start(wcycle_, ewcUPDATE);
+ wallcycle_start(wcycle_, WallCycleCounter::Update);
auto xp = as_rvec_array(statePropagatorData_->positionsView().paddedArrayRef().data());
auto x = as_rvec_array(statePropagatorData_->constPositionsView().paddedArrayRef().data());
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
}
- wallcycle_stop(wcycle_, ewcUPDATE);
+ wallcycle_stop(wcycle_, WallCycleCounter::Update);
}
//! Propagation (velocity only)
NumVelocityScalingValues numEndVelocityScalingValues>
void Propagator<IntegrationStep::VelocitiesOnly>::run()
{
- wallcycle_start(wcycle_, ewcUPDATE);
+ wallcycle_start(wcycle_, WallCycleCounter::Update);
auto v = as_rvec_array(statePropagatorData_->velocitiesView().paddedArrayRef().data());
auto f = as_rvec_array(statePropagatorData_->constForcesView().force().data());
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
}
- wallcycle_stop(wcycle_, ewcUPDATE);
+ wallcycle_stop(wcycle_, WallCycleCounter::Update);
}
//! Propagation (leapfrog case - position and velocity)
NumVelocityScalingValues numEndVelocityScalingValues>
void Propagator<IntegrationStep::LeapFrog>::run()
{
- wallcycle_start(wcycle_, ewcUPDATE);
+ wallcycle_start(wcycle_, WallCycleCounter::Update);
auto xp = as_rvec_array(statePropagatorData_->positionsView().paddedArrayRef().data());
auto x = as_rvec_array(statePropagatorData_->constPositionsView().paddedArrayRef().data());
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
}
- wallcycle_stop(wcycle_, ewcUPDATE);
+ wallcycle_stop(wcycle_, WallCycleCounter::Update);
}
//! Propagation (velocity verlet stage 2 - velocity and position)
NumVelocityScalingValues numEndVelocityScalingValues>
void Propagator<IntegrationStep::VelocityVerletPositionsAndVelocities>::run()
{
- wallcycle_start(wcycle_, ewcUPDATE);
+ wallcycle_start(wcycle_, WallCycleCounter::Update);
auto xp = as_rvec_array(statePropagatorData_->positionsView().paddedArrayRef().data());
auto x = as_rvec_array(statePropagatorData_->constPositionsView().paddedArrayRef().data());
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
}
- wallcycle_stop(wcycle_, ewcUPDATE);
+ wallcycle_stop(wcycle_, WallCycleCounter::Update);
}
template<IntegrationStep algorithm>