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more use of utils::logmesg() and {fmt}

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This commit is contained in:
Axel Kohlmeyer
2020-06-26 07:23:22 -04:00
parent 24c3f1f752
commit c4855d95e7
4 changed files with 32 additions and 65 deletions
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13
src/lattice.cpp
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@ -21,6 +21,8 @@
#include "force.h"
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
@ -301,14 +303,9 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
// print lattice spacings
if (comm->me == 0) {
if (screen)
fprintf(screen,"Lattice spacing in x,y,z = %g %g %g\n",
xlattice,ylattice,zlattice);
if (logfile)
fprintf(logfile,"Lattice spacing in x,y,z = %g %g %g\n",
xlattice,ylattice,zlattice);
}
if (comm->me == 0)
utils::logmesg(lmp,fmt::format("Lattice spacing in x,y,z = {} {} {}\n",
xlattice,ylattice,zlattice));
}
/* ---------------------------------------------------------------------- */

72
src/read_restart.cpp
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@ -519,14 +519,10 @@ void ReadRestart::command(int narg, char **arg)
// total time
MPI_Barrier(world);
double time2 = MPI_Wtime();
if (comm->me == 0) {
if (screen)
fprintf(screen," read_restart CPU = %g secs\n",time2-time1);
if (logfile)
fprintf(logfile," read_restart CPU = %g secs\n",time2-time1);
}
if (comm->me == 0)
utils::logmesg(lmp,fmt::format(" read_restart CPU = {:.3f} secs\n",
MPI_Wtime()-time1));
}
/* ----------------------------------------------------------------------
@ -810,12 +806,8 @@ void ReadRestart::header()
for (int i = 0; i < nargcopy; i++)
argcopy[i] = read_string();
atom->create_avec(style,nargcopy,argcopy,1);
if (comm->me ==0) {
if (screen) fprintf(screen," restoring atom style %s from "
"restart\n", style);
if (logfile) fprintf(logfile," restoring atom style %s from "
"restart\n", style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring atom style {} from restart\n",style));
for (int i = 0; i < nargcopy; i++) delete [] argcopy[i];
delete [] argcopy;
delete [] style;
@ -947,22 +939,16 @@ void ReadRestart::force_fields()
style = read_string();
force->create_pair(style,1);
delete [] style;
if (comm->me ==0) {
if (screen) fprintf(screen," restoring pair style %s from "
"restart\n", force->pair_style);
if (logfile) fprintf(logfile," restoring pair style %s from "
"restart\n", force->pair_style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring pair style {} from "
"restart\n", force->pair_style));
force->pair->read_restart(fp);
} else if (flag == NO_PAIR) {
style = read_string();
if (comm->me ==0) {
if (screen) fprintf(screen," pair style %s stores no "
"restart info\n", style);
if (logfile) fprintf(logfile," pair style %s stores no "
"restart info\n", style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" pair style {} stores no "
"restart info\n", style));
force->create_pair("none",0);
force->pair_restart = style;
@ -970,48 +956,36 @@ void ReadRestart::force_fields()
style = read_string();
force->create_bond(style,1);
delete [] style;
if (comm->me ==0) {
if (screen) fprintf(screen," restoring bond style %s from "
"restart\n", force->bond_style);
if (logfile) fprintf(logfile," restoring bond style %s from "
"restart\n", force->bond_style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring bond style {} from "
"restart\n", force->bond_style));
force->bond->read_restart(fp);
} else if (flag == ANGLE) {
style = read_string();
force->create_angle(style,1);
delete [] style;
if (comm->me ==0) {
if (screen) fprintf(screen," restoring angle style %s from "
"restart\n", force->angle_style);
if (logfile) fprintf(logfile," restoring angle style %s from "
"restart\n", force->angle_style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring angle style {} from "
"restart\n", force->angle_style));
force->angle->read_restart(fp);
} else if (flag == DIHEDRAL) {
style = read_string();
force->create_dihedral(style,1);
delete [] style;
if (comm->me ==0) {
if (screen) fprintf(screen," restoring dihedral style %s from "
"restart\n", force->dihedral_style);
if (logfile) fprintf(logfile," restoring dihedral style %s from "
"restart\n", force->dihedral_style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring dihedral style {} from "
"restart\n", force->dihedral_style));
force->dihedral->read_restart(fp);
} else if (flag == IMPROPER) {
style = read_string();
force->create_improper(style,1);
delete [] style;
if (comm->me ==0) {
if (screen) fprintf(screen," restoring improper style %s from "
"restart\n", force->improper_style);
if (logfile) fprintf(logfile," restoring improper style %s from "
"restart\n", force->improper_style);
}
if (comm->me ==0)
utils::logmesg(lmp,fmt::format(" restoring improper style {} from "
"restart\n", force->improper_style));
force->improper->read_restart(fp);
} else error->all(FLERR,

10
src/replicate.cpp
View File

@ -777,12 +777,8 @@ void Replicate::command(int narg, char **arg)
// total time
MPI_Barrier(world);
double time2 = MPI_Wtime();
if (me == 0) {
if (screen)
fprintf(screen," replicate CPU = %g secs\n",time2-time1);
if (logfile)
fprintf(logfile," replicate CPU = %g secs\n",time2-time1);
}
if (me == 0)
utils::logmesg(lmp,fmt::format(" replicate CPU = {:.3f} secs\n",
MPI_Wtime()-time1));
}

2
src/special.cpp
View File

@ -1314,6 +1314,6 @@ void Special::fix_alteration()
void Special::timer_output(double time1)
{
if (comm->me == 0)
utils::logmesg(lmp,fmt::format(" special bonds CPU = {:<.3g} secs\n",
utils::logmesg(lmp,fmt::format(" special bonds CPU = {:.3f} secs\n",
MPI_Wtime()-time1));
}