moebiusband/MD-Bench
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Removed debug prints, only zero atom forces and not copy them, added measurements

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This commit is contained in:
Maximilian Gaul
2021-12-28 16:32:54 +01:00
parent 8009b54113
commit bf1ae3d013
3 changed files with 13 additions and 73 deletions
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13
src/main.c
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@@ -111,20 +111,13 @@ double reneighbour(
{
double S, E;
printf("10.1\r\n");
S = getTimeStamp();
LIKWID_MARKER_START("reneighbour");
printf("10.2\r\n");
updateAtomsPbc(atom, param);
printf("10.3\r\n");
setupPbc(atom, param);
printf("10.4\r\n");
updatePbc(atom, param);
printf("10.5\r\n");
//sortAtom(atom);
buildNeighbor(atom, neighbor);
printf("10.6\r\n");
LIKWID_MARKER_STOP("reneighbour");
E = getTimeStamp();
@@ -288,18 +281,12 @@ int main(int argc, char** argv)
const bool doReneighbour = (n + 1) % param.every == 0;
const bool doesReneighbourNextRound = (n + 2) % param.every == 0;
printf("Run %d does reneighbour: %d\r\n", n, doReneighbour);
printf("10\r\n");
if(doReneighbour) {
timer[NEIGH] += reneighbour(&param, &atom, &neighbor);
} else {
updatePbc(&atom, &param);
}
printf("11\r\n");
if(param.force_field == FF_EAM) {
timer[FORCE] += computeForceEam(&eam, &param, &atom, &neighbor, &stats, 0, n + 1);
} else {