}
else
{
- wallcycle_start(wcycle, ewcPME_REDISTXF);
+ wallcycle_start(wcycle, WallCycleCounter::PmeRedistXF);
do_redist_pos_coeffs(pme, cr, bFirst, coordinates, coefficient);
- wallcycle_stop(wcycle, ewcPME_REDISTXF);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeRedistXF);
}
if (debug)
fprintf(debug, "Rank= %6d, pme local particles=%6d\n", cr->nodeid, atc.numAtoms());
}
- wallcycle_start(wcycle, ewcPME_SPREAD);
+ wallcycle_start(wcycle, WallCycleCounter::PmeSpread);
/* Spread the coefficients on a grid */
spread_on_grid(pme, &atc, pmegrid, bFirst, TRUE, fftgrid, bDoSplines, grid_index);
copy_pmegrid_to_fftgrid(pme, grid, fftgrid, grid_index);
}
- wallcycle_stop(wcycle, ewcPME_SPREAD);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeSpread);
/* TODO If the OpenMP and single-threaded implementations
converge, then spread_on_grid() and
/* do 3d-fft */
if (thread == 0)
{
- wallcycle_start(wcycle, ewcPME_FFT);
+ wallcycle_start(wcycle, WallCycleCounter::PmeFft);
}
gmx_parallel_3dfft_execute(pfft_setup, GMX_FFT_REAL_TO_COMPLEX, thread, wcycle);
if (thread == 0)
{
- wallcycle_stop(wcycle, ewcPME_FFT);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeFft);
}
/* solve in k-space for our local cells */
if (thread == 0)
{
- wallcycle_start(wcycle, (grid_index < DO_Q ? ewcPME_SOLVE : ewcLJPME));
+ wallcycle_start(
+ wcycle,
+ (grid_index < DO_Q ? WallCycleCounter::PmeSolve : WallCycleCounter::LJPme));
}
if (grid_index < DO_Q)
{
if (thread == 0)
{
- wallcycle_stop(wcycle, (grid_index < DO_Q ? ewcPME_SOLVE : ewcLJPME));
+ wallcycle_stop(
+ wcycle,
+ (grid_index < DO_Q ? WallCycleCounter::PmeSolve : WallCycleCounter::LJPme));
inc_nrnb(nrnb, eNR_SOLVEPME, loop_count);
}
/* do 3d-invfft */
if (thread == 0)
{
- wallcycle_start(wcycle, ewcPME_FFT);
+ wallcycle_start(wcycle, WallCycleCounter::PmeFft);
}
gmx_parallel_3dfft_execute(pfft_setup, GMX_FFT_COMPLEX_TO_REAL, thread, wcycle);
if (thread == 0)
{
- wallcycle_stop(wcycle, ewcPME_FFT);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeFft);
if (pme->nodeid == 0)
/* Note: this wallcycle region is closed below
outside an OpenMP region, so take care if
refactoring code here. */
- wallcycle_start(wcycle, ewcPME_GATHER);
+ wallcycle_start(wcycle, WallCycleCounter::PmeGather);
}
copy_fftgrid_to_pmegrid(pme, fftgrid, grid, grid_index, pme->nthread, thread);
inc_nrnb(nrnb, eNR_GATHERFBSP, pme->pme_order * pme->pme_order * pme->pme_order * atc.numAtoms());
/* Note: this wallcycle region is opened above inside an OpenMP
region, so take care if refactoring code here. */
- wallcycle_stop(wcycle, ewcPME_GATHER);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeGather);
}
if (computeEnergyAndVirial)
break;
default: gmx_incons("Trying to access wrong FEP-state in LJ-PME routine");
}
- wallcycle_start(wcycle, ewcPME_REDISTXF);
+ wallcycle_start(wcycle, WallCycleCounter::PmeRedistXF);
do_redist_pos_coeffs(pme, cr, bFirst, coordinates, RedistC6);
pme->lb_buf1.resize(atc.numAtoms());
local_sigma[i] = atc.coefficient[i];
}
- wallcycle_stop(wcycle, ewcPME_REDISTXF);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeRedistXF);
}
atc.coefficient = coefficientBuffer;
calc_initial_lb_coeffs(coefficientBuffer, local_c6, local_sigma);
calc_next_lb_coeffs(coefficientBuffer, local_sigma);
grid = pmegrid->grid.grid;
- wallcycle_start(wcycle, ewcPME_SPREAD);
+ wallcycle_start(wcycle, WallCycleCounter::PmeSpread);
/* Spread the c6 on a grid */
spread_on_grid(pme, &atc, pmegrid, bFirst, TRUE, fftgrid, bDoSplines, grid_index);
}
copy_pmegrid_to_fftgrid(pme, grid, fftgrid, grid_index);
}
- wallcycle_stop(wcycle, ewcPME_SPREAD);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeSpread);
/*Here we start a large thread parallel region*/
#pragma omp parallel num_threads(pme->nthread) private(thread)
/* do 3d-fft */
if (thread == 0)
{
- wallcycle_start(wcycle, ewcPME_FFT);
+ wallcycle_start(wcycle, WallCycleCounter::PmeFft);
}
gmx_parallel_3dfft_execute(pfft_setup, GMX_FFT_REAL_TO_COMPLEX, thread, wcycle);
if (thread == 0)
{
- wallcycle_stop(wcycle, ewcPME_FFT);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeFft);
}
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
thread = gmx_omp_get_thread_num();
if (thread == 0)
{
- wallcycle_start(wcycle, ewcLJPME);
+ wallcycle_start(wcycle, WallCycleCounter::LJPme);
}
loop_count =
thread);
if (thread == 0)
{
- wallcycle_stop(wcycle, ewcLJPME);
+ wallcycle_stop(wcycle, WallCycleCounter::LJPme);
inc_nrnb(nrnb, eNR_SOLVEPME, loop_count);
}
}
/* do 3d-invfft */
if (thread == 0)
{
- wallcycle_start(wcycle, ewcPME_FFT);
+ wallcycle_start(wcycle, WallCycleCounter::PmeFft);
}
gmx_parallel_3dfft_execute(pfft_setup, GMX_FFT_COMPLEX_TO_REAL, thread, wcycle);
if (thread == 0)
{
- wallcycle_stop(wcycle, ewcPME_FFT);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeFft);
if (pme->nodeid == 0)
npme = static_cast<int>(ntot * std::log(ntot) / std::log(2.0));
inc_nrnb(nrnb, eNR_FFT, 2 * npme);
}
- wallcycle_start(wcycle, ewcPME_GATHER);
+ wallcycle_start(wcycle, WallCycleCounter::PmeGather);
}
copy_fftgrid_to_pmegrid(pme, fftgrid, grid, grid_index, pme->nthread, thread);
eNR_GATHERFBSP,
pme->pme_order * pme->pme_order * pme->pme_order * pme->atc[0].numAtoms());
}
- wallcycle_stop(wcycle, ewcPME_GATHER);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeGather);
bFirst = FALSE;
} /* for (grid_index = 8; grid_index >= 2; --grid_index) */
if (stepWork.computeForces && pme->nnodes > 1)
{
- wallcycle_start(wcycle, ewcPME_REDISTXF);
+ wallcycle_start(wcycle, WallCycleCounter::PmeRedistXF);
for (d = 0; d < pme->ndecompdim; d++)
{
gmx::ArrayRef<gmx::RVec> forcesRef;
}
}
- wallcycle_stop(wcycle, ewcPME_REDISTXF);
+ wallcycle_stop(wcycle, WallCycleCounter::PmeRedistXF);
}
if (computeEnergyAndVirial)