Unverified Commit a53202ba authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent dd60bddc
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+0 −18
Changes for src/create_atoms.cpp: 0 added lines, 18 removed lines.
Original line number Diff line number Diff line
@@ -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++) {