#include "gromacs/listed_forces/gpubonded.h"
#include "gromacs/math/units.h"
#include "gromacs/mdlib/force_flags.h"
-#include "gromacs/mdlib/ppforceworkload.h"
#include "gromacs/mdtypes/forcerec.h"
+#include "gromacs/mdtypes/simulation_workload.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pbcutil/pbc_aiuc_cuda.cuh"
#include "gromacs/utility/gmxassert.h"
}
void
-GpuBonded::launchKernel(const t_forcerec *fr,
- const gmx::ForceFlags &forceFlags,
- const matrix box)
+GpuBonded::launchKernel(const t_forcerec *fr,
+ const gmx::StepWorkload &stepWork,
+ const matrix box)
{
- if (forceFlags.computeEnergy)
+ if (stepWork.computeEnergy)
{
// When we need the energy, we also need the virial
impl_->launchKernel<true, true>
(fr, box);
}
- else if (forceFlags.computeVirial)
+ else if (stepWork.computeVirial)
{
impl_->launchKernel<true, false>
(fr, box);