MD-Bench/gromacs/tracing.c
Rafael Ravedutti 43259eb3cf Adjust neighbor lists layout to keep neighbor ids contiguous in memory
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2023-03-30 01:57:26 +02:00

62 lines
1.7 KiB
C

/*
* Copyright (C) 2022 NHR@FAU, University Erlangen-Nuremberg.
* All rights reserved. This file is part of MD-Bench.
* Use of this source code is governed by a LGPL-3.0
* license that can be found in the LICENSE file.
*/
#include <neighbor.h>
#include <parameter.h>
#include <atom.h>
#include <tracing.h>
void traceAddresses(Parameter *param, Atom *atom, Neighbor *neighbor, int timestep) {
MEM_TRACER_INIT;
INDEX_TRACER_INIT;
int Nlocal = atom->Nlocal;
int *neighs;
unsigned int *neighs_imask;
//MD_FLOAT* fx = atom->fx; MD_FLOAT* fy = atom->fy; MD_FLOAT* fz = atom->fz;
INDEX_TRACE_NATOMS(Nlocal, atom->Nghost, neighbor->maxneighs);
for(int i = 0; i < Nlocal; i++) {
neighs = &neighbor->neighbors[i * neighbor->maxneighs];
int numneighs = neighbor->numneigh[i];
MEM_TRACE(atom_x(i), 'R');
MEM_TRACE(atom_y(i), 'R');
MEM_TRACE(atom_z(i), 'R');
INDEX_TRACE_ATOM(i);
#ifdef EXPLICIT_TYPES
MEM_TRACE(atom->type[i], 'R');
#endif
DIST_TRACE_SORT(neighs, numneighs);
INDEX_TRACE(neighs, numneighs);
DIST_TRACE(neighs, numneighs);
for(int k = 0; k < numneighs; k++) {
int j = neighs[k];
MEM_TRACE(j, 'R');
MEM_TRACE(atom_x(j), 'R');
MEM_TRACE(atom_y(j), 'R');
MEM_TRACE(atom_z(j), 'R');
#ifdef EXPLICIT_TYPES
MEM_TRACE(atom->type[j], 'R');
#endif
}
/*
MEM_TRACE(fx[i], 'R');
MEM_TRACE(fx[i], 'W');
MEM_TRACE(fy[i], 'R');
MEM_TRACE(fy[i], 'W');
MEM_TRACE(fz[i], 'R');
MEM_TRACE(fz[i], 'W');
*/
}
INDEX_TRACER_END;
MEM_TRACER_END;
}