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removing the time estimate code for create_atoms completely, as we'll have linear scaling soon.

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Axel Kohlmeyer 2020-01-16 17:23:57 -05:00
parent dd60bddc33
commit a53202bad2
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1 changed files with 0 additions and 18 deletions
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18
src/create_atoms.cpp
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@ -776,24 +776,6 @@ void CreateAtoms::add_lattice()
const double * const * const basis = domain->lattice->basis;
// rough estimate of total time used for create atoms.
// for a large number of atoms, one inner loop iteration
// takes about 25us on a typical desktop CPU core in 2020.
double testimate = 2.5e-5/3600.0; // convert seconds to hours
testimate *= static_cast<double>(khi-klo+1);
testimate *= static_cast<double>(jhi-jlo+1);
testimate *= static_cast<double>(ihi-ilo+1);
testimate *= static_cast<double>(nbasis);
double maxestimate = 0.0;
MPI_Reduce(&testimate,&maxestimate,1,MPI_DOUBLE,MPI_MAX,0,world);
if ((comm->me == 0) && (maxestimate > 0.01)) {
if (screen) fprintf(screen,"WARNING: create_atoms will take "
"approx. %.2f hours to complete\n",maxestimate);
if (logfile) fprintf(logfile,"WARNING: create_atoms will take "
"approx. %.2f hours to complete\n",maxestimate);
}
int i,j,k,m;
for (k = klo; k <= khi; k++) {
for (j = jlo; j <= jhi; j++) {