ICODE-ADC/lammps
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apply new logmesg() overload to a bunch of cases.

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This commit is contained in:
Axel Kohlmeyer
2021-04-21 22:53:41 -04:00
parent 0cf1252f1f
commit d2cdb318ab
42 changed files with 259 additions and 297 deletions
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27
src/read_data.cpp
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@ -907,8 +907,7 @@ void ReadData::command(int narg, char **arg)
MPI_Barrier(world);
if (comm->me == 0)
utils::logmesg(lmp,fmt::format(" read_data CPU = {:.3f} seconds\n",
MPI_Wtime()-time1));
utils::logmesg(lmp," read_data CPU = {:.3f} seconds\n",MPI_Wtime()-time1);
}
/* ----------------------------------------------------------------------
@ -1239,7 +1238,7 @@ void ReadData::atoms()
MPI_Allreduce(&n,&sum,1,MPI_LMP_BIGINT,MPI_SUM,world);
bigint nassign = sum - (atom->natoms - natoms);
if (me == 0) utils::logmesg(lmp,fmt::format(" {} atoms\n",nassign));
if (me == 0) utils::logmesg(lmp," {} atoms\n",nassign);
if (sum != atom->natoms)
error->all(FLERR,"Did not assign all atoms correctly");
@ -1293,7 +1292,7 @@ void ReadData::velocities()
atom->map_style = Atom::MAP_NONE;
}
if (me == 0) utils::logmesg(lmp,fmt::format(" {} velocities\n",natoms));
if (me == 0) utils::logmesg(lmp," {} velocities\n",natoms);
}
/* ----------------------------------------------------------------------
@ -1342,7 +1341,7 @@ void ReadData::bonds(int firstpass)
if (addflag == NONE) maxall += atom->extra_bond_per_atom;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} = max bonds/atom\n",maxall));
utils::logmesg(lmp," {} = max bonds/atom\n",maxall);
if (addflag != NONE) {
if (maxall > atom->bond_per_atom)
@ -1364,7 +1363,7 @@ void ReadData::bonds(int firstpass)
if (!force->newton_bond) factor = 2;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} bonds\n",sum/factor));
utils::logmesg(lmp," {} bonds\n",sum/factor);
if (sum != factor*nbonds)
error->all(FLERR,"Bonds assigned incorrectly");
@ -1416,7 +1415,7 @@ void ReadData::angles(int firstpass)
if (addflag == NONE) maxall += atom->extra_angle_per_atom;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} = max angles/atom\n",maxall));
utils::logmesg(lmp," {} = max angles/atom\n",maxall);
if (addflag != NONE) {
if (maxall > atom->angle_per_atom)
@ -1438,7 +1437,7 @@ void ReadData::angles(int firstpass)
if (!force->newton_bond) factor = 3;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} angles\n",sum/factor));
utils::logmesg(lmp," {} angles\n",sum/factor);
if (sum != factor*nangles)
error->all(FLERR,"Angles assigned incorrectly");
@ -1490,7 +1489,7 @@ void ReadData::dihedrals(int firstpass)
if (addflag == NONE) maxall += atom->extra_dihedral_per_atom;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} = max dihedrals/atom\n",maxall));
utils::logmesg(lmp," {} = max dihedrals/atom\n",maxall);
if (addflag != NONE) {
if (maxall > atom->dihedral_per_atom)
@ -1512,7 +1511,7 @@ void ReadData::dihedrals(int firstpass)
if (!force->newton_bond) factor = 4;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} dihedrals\n",sum/factor));
utils::logmesg(lmp," {} dihedrals\n",sum/factor);
if (sum != factor*ndihedrals)
error->all(FLERR,"Dihedrals assigned incorrectly");
@ -1564,7 +1563,7 @@ void ReadData::impropers(int firstpass)
if (addflag == NONE) maxall += atom->extra_improper_per_atom;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} = max impropers/atom\n",maxall));
utils::logmesg(lmp," {} = max impropers/atom\n",maxall);
if (addflag != NONE) {
if (maxall > atom->improper_per_atom)
@ -1586,7 +1585,7 @@ void ReadData::impropers(int firstpass)
if (!force->newton_bond) factor = 4;
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} impropers\n",sum/factor));
utils::logmesg(lmp," {} impropers\n",sum/factor);
if (sum != factor*nimpropers)
error->all(FLERR,"Impropers assigned incorrectly");
@ -1625,7 +1624,7 @@ void ReadData::bonus(bigint nbonus, AtomVec *ptr, const char *type)
}
if (me == 0)
utils::logmesg(lmp,fmt::format(" {} {}\n",natoms,type));
utils::logmesg(lmp," {} {}\n",natoms,type);
}
/* ----------------------------------------------------------------------
@ -1729,7 +1728,7 @@ void ReadData::bodies(int firstpass, AtomVec *ptr)
}
if (me == 0 && firstpass)
utils::logmesg(lmp,fmt::format(" {} bodies\n",natoms));
utils::logmesg(lmp," {} bodies\n",natoms);
}
/* ---------------------------------------------------------------------- */