forked from lijiext/lammps
get rid of BIGINT_FORMAT and use utils::logmesg()
This commit is contained in:
Axel Kohlmeyer
parent
8ed32f95b3
commit
73c6171ad6
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@ -45,6 +45,7 @@
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#include "math_const.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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using namespace MathConst;
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@ -212,9 +213,8 @@ void Min::setup(int flag)
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fprintf(screen,"Setting up %s style minimization ...\n",
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update->minimize_style);
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if (flag) {
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fprintf(screen," Unit style : %s\n", update->unit_style);
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fprintf(screen," Current step : " BIGINT_FORMAT "\n",
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update->ntimestep);
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fmt::print(screen," Unit style : {}\n", update->unit_style);
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fmt::print(screen," Current step : {}\n", update->ntimestep);
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timer->print_timeout(screen);
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}
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}
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@ -42,6 +42,7 @@
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#include "error.h"
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#include "memory.h"
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#include "utils.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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@ -815,36 +816,18 @@ void ReadData::command(int narg, char **arg)
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}
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if (me == 0) {
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if (atom->nbonds) {
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if (screen)
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fprintf(screen," " BIGINT_FORMAT " template bonds\n",atom->nbonds);
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if (logfile)
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fprintf(logfile," " BIGINT_FORMAT " template bonds\n",atom->nbonds);
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}
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if (atom->nangles) {
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if (screen)
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fprintf(screen," " BIGINT_FORMAT " template angles\n",
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atom->nangles);
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if (logfile)
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fprintf(logfile," " BIGINT_FORMAT " template angles\n",
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atom->nangles);
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}
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if (atom->ndihedrals) {
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if (screen)
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fprintf(screen," " BIGINT_FORMAT " template dihedrals\n",
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atom->nbonds);
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if (logfile)
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fprintf(logfile," " BIGINT_FORMAT " template bonds\n",
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atom->ndihedrals);
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}
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if (atom->nimpropers) {
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if (screen)
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fprintf(screen," " BIGINT_FORMAT " template impropers\n",
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atom->nimpropers);
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if (logfile)
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fprintf(logfile," " BIGINT_FORMAT " template impropers\n",
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atom->nimpropers);
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}
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std::string mesg;
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if (atom->nbonds)
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mesg += fmt::format(" {} template bonds\n",atom->nbonds);
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if (atom->nangles)
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mesg += fmt::format(" {} template angles\n",atom->nangles);
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if (atom->ndihedrals)
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mesg += fmt::format(" {} template dihedrals\n",atom->ndihedrals);
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if (atom->nimpropers)
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mesg += fmt::format(" {} template impropers\n",atom->nimpropers);
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utils::logmesg(lmp,mesg);
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}
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}
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@ -914,14 +897,10 @@ void ReadData::command(int narg, char **arg)
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// total time
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MPI_Barrier(world);
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double time2 = MPI_Wtime();
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if (comm->me == 0) {
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if (screen)
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fprintf(screen," read_data CPU = %g secs\n",time2-time1);
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if (logfile)
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fprintf(logfile," read_data CPU = %g secs\n",time2-time1);
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}
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if (comm->me == 0)
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utils::logmesg(lmp,fmt::format(" read_data CPU = {:.3f} secs\n",
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MPI_Wtime()-time1));
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}
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/* ----------------------------------------------------------------------
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@ -1225,10 +1204,7 @@ void ReadData::atoms()
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{
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int nchunk,eof;
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if (me == 0) {
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if (screen) fprintf(screen," reading atoms ...\n");
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if (logfile) fprintf(logfile," reading atoms ...\n");
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}
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if (me == 0) utils::logmesg(lmp," reading atoms ...\n");
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bigint nread = 0;
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@ -1247,10 +1223,7 @@ void ReadData::atoms()
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MPI_Allreduce(&n,&sum,1,MPI_LMP_BIGINT,MPI_SUM,world);
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bigint nassign = sum - (atom->natoms - natoms);
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " atoms\n",nassign);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " atoms\n",nassign);
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}
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if (me == 0) utils::logmesg(lmp,fmt::format(" {} atoms\n",nassign));
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if (sum != atom->natoms)
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error->all(FLERR,"Did not assign all atoms correctly");
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@ -1280,10 +1253,7 @@ void ReadData::velocities()
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{
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int nchunk,eof;
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if (me == 0) {
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if (screen) fprintf(screen," reading velocities ...\n");
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if (logfile) fprintf(logfile," reading velocities ...\n");
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}
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if (me == 0) utils::logmesg(lmp," reading velocities ...\n");
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int mapflag = 0;
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if (atom->map_style == 0) {
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@ -1307,10 +1277,7 @@ void ReadData::velocities()
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atom->map_style = 0;
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}
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " velocities\n",natoms);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " velocities\n",natoms);
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}
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if (me == 0) utils::logmesg(lmp,fmt::format(" {} velocities\n",natoms));
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}
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/* ----------------------------------------------------------------------
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@ -1322,13 +1289,8 @@ void ReadData::bonds(int firstpass)
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int nchunk,eof;
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if (me == 0) {
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if (firstpass) {
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if (screen) fprintf(screen," scanning bonds ...\n");
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if (logfile) fprintf(logfile," scanning bonds ...\n");
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} else {
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if (screen) fprintf(screen," reading bonds ...\n");
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if (logfile) fprintf(logfile," reading bonds ...\n");
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}
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if (firstpass) utils::logmesg(lmp," scanning bonds ...\n");
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else utils::logmesg(lmp," reading bonds ...\n");
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}
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// allocate count if firstpass
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@ -1363,10 +1325,8 @@ void ReadData::bonds(int firstpass)
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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if (addflag == NONE) maxall += atom->extra_bond_per_atom;
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if (me == 0) {
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if (screen) fprintf(screen," %d = max bonds/atom\n",maxall);
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if (logfile) fprintf(logfile," %d = max bonds/atom\n",maxall);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} = max bonds/atom\n",maxall));
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if (addflag != NONE) {
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if (maxall > atom->bond_per_atom)
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@ -1387,10 +1347,8 @@ void ReadData::bonds(int firstpass)
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int factor = 1;
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if (!force->newton_bond) factor = 2;
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " bonds\n",sum/factor);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " bonds\n",sum/factor);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} bonds\n",sum/factor));
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if (sum != factor*nbonds)
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error->all(FLERR,"Bonds assigned incorrectly");
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@ -1405,13 +1363,8 @@ void ReadData::angles(int firstpass)
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int nchunk,eof;
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if (me == 0) {
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if (firstpass) {
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if (screen) fprintf(screen," scanning angles ...\n");
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if (logfile) fprintf(logfile," scanning angles ...\n");
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} else {
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if (screen) fprintf(screen," reading angles ...\n");
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if (logfile) fprintf(logfile," reading angles ...\n");
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}
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if (firstpass) utils::logmesg(lmp," scanning angles ...\n");
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else utils::logmesg(lmp," reading angles ...\n");
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}
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// allocate count if firstpass
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@ -1446,10 +1399,8 @@ void ReadData::angles(int firstpass)
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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if (addflag == NONE) maxall += atom->extra_angle_per_atom;
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if (me == 0) {
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if (screen) fprintf(screen," %d = max angles/atom\n",maxall);
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if (logfile) fprintf(logfile," %d = max angles/atom\n",maxall);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} = max angles/atom\n",maxall));
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if (addflag != NONE) {
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if (maxall > atom->angle_per_atom)
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@ -1470,10 +1421,8 @@ void ReadData::angles(int firstpass)
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int factor = 1;
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if (!force->newton_bond) factor = 3;
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " angles\n",sum/factor);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " angles\n",sum/factor);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} angles\n",sum/factor));
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if (sum != factor*nangles)
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error->all(FLERR,"Angles assigned incorrectly");
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@ -1488,13 +1437,8 @@ void ReadData::dihedrals(int firstpass)
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int nchunk,eof;
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if (me == 0) {
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if (firstpass) {
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if (screen) fprintf(screen," scanning dihedrals ...\n");
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if (logfile) fprintf(logfile," scanning dihedrals ...\n");
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} else {
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if (screen) fprintf(screen," reading dihedrals ...\n");
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if (logfile) fprintf(logfile," reading dihedrals ...\n");
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}
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if (firstpass) utils::logmesg(lmp," scanning dihedrals ...\n");
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else utils::logmesg(lmp," reading dihedrals ...\n");
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}
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// allocate count if firstpass
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@ -1529,10 +1473,8 @@ void ReadData::dihedrals(int firstpass)
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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if (addflag == NONE) maxall += atom->extra_dihedral_per_atom;
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if (me == 0) {
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if (screen) fprintf(screen," %d = max dihedrals/atom\n",maxall);
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if (logfile) fprintf(logfile," %d = max dihedrals/atom\n",maxall);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} = max dihedrals/atom\n",maxall));
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if (addflag != NONE) {
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if (maxall > atom->dihedral_per_atom)
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@ -1553,10 +1495,8 @@ void ReadData::dihedrals(int firstpass)
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int factor = 1;
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if (!force->newton_bond) factor = 4;
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " dihedrals\n",sum/factor);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " dihedrals\n",sum/factor);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} dihedrals\n",sum/factor));
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if (sum != factor*ndihedrals)
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error->all(FLERR,"Dihedrals assigned incorrectly");
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@ -1571,13 +1511,8 @@ void ReadData::impropers(int firstpass)
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int nchunk,eof;
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if (me == 0) {
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if (firstpass) {
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if (screen) fprintf(screen," scanning impropers ...\n");
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if (logfile) fprintf(logfile," scanning impropers ...\n");
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} else {
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if (screen) fprintf(screen," reading impropers ...\n");
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if (logfile) fprintf(logfile," reading impropers ...\n");
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}
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if (firstpass) utils::logmesg(lmp," scanning impropers ...\n");
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else utils::logmesg(lmp," reading impropers ...\n");
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}
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// allocate count if firstpass
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@ -1612,10 +1547,8 @@ void ReadData::impropers(int firstpass)
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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if (addflag == NONE) maxall += atom->extra_improper_per_atom;
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if (me == 0) {
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if (screen) fprintf(screen," %d = max impropers/atom\n",maxall);
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if (logfile) fprintf(logfile," %d = max impropers/atom\n",maxall);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} = max impropers/atom\n",maxall));
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if (addflag != NONE) {
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if (maxall > atom->improper_per_atom)
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@ -1636,10 +1569,8 @@ void ReadData::impropers(int firstpass)
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int factor = 1;
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if (!force->newton_bond) factor = 4;
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " impropers\n",sum/factor);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " impropers\n",sum/factor);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} impropers\n",sum/factor));
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if (sum != factor*nimpropers)
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error->all(FLERR,"Impropers assigned incorrectly");
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@ -1677,10 +1608,8 @@ void ReadData::bonus(bigint nbonus, AtomVec *ptr, const char *type)
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atom->map_style = 0;
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}
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if (me == 0) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " %s\n",natoms,type);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " %s\n",natoms,type);
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}
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if (me == 0)
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utils::logmesg(lmp,fmt::format(" {} {}\n",natoms,type));
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}
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/* ----------------------------------------------------------------------
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@ -1783,10 +1712,8 @@ void ReadData::bodies(int firstpass, AtomVec *ptr)
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atom->map_style = 0;
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}
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if (me == 0 && firstpass) {
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if (screen) fprintf(screen," " BIGINT_FORMAT " bodies\n",natoms);
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if (logfile) fprintf(logfile," " BIGINT_FORMAT " bodies\n",natoms);
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}
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if (me == 0 && firstpass)
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utils::logmesg(lmp,fmt::format(" {} bodies\n",natoms));
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}
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/* ---------------------------------------------------------------------- */
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@ -35,6 +35,7 @@
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#include "error.h"
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#include "memory.h"
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#include "utils.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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@ -165,26 +166,14 @@ void ReadDump::command(int narg, char **arg)
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domain->print_box(" ");
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if (me == 0) {
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if (screen) {
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fprintf(screen," " BIGINT_FORMAT " atoms before read\n",natoms_prev);
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fprintf(screen," " BIGINT_FORMAT " atoms in snapshot\n",nsnap_all);
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fprintf(screen," " BIGINT_FORMAT " atoms purged\n",npurge_all);
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fprintf(screen," " BIGINT_FORMAT " atoms replaced\n",nreplace_all);
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fprintf(screen," " BIGINT_FORMAT " atoms trimmed\n",ntrim_all);
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fprintf(screen," " BIGINT_FORMAT " atoms added\n",nadd_all);
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fprintf(screen," " BIGINT_FORMAT " atoms after read\n",atom->natoms);
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}
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if (logfile) {
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fprintf(logfile," " BIGINT_FORMAT " atoms before read\n",natoms_prev);
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fprintf(logfile," " BIGINT_FORMAT " atoms in snapshot\n",nsnap_all);
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fprintf(logfile," " BIGINT_FORMAT " atoms purged\n",npurge_all);
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fprintf(logfile," " BIGINT_FORMAT " atoms replaced\n",nreplace_all);
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fprintf(logfile," " BIGINT_FORMAT " atoms trimmed\n",ntrim_all);
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fprintf(logfile," " BIGINT_FORMAT " atoms added\n",nadd_all);
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fprintf(logfile," " BIGINT_FORMAT " atoms after read\n",atom->natoms);
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}
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}
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if (me == 0)
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utils::logmesg(lmp, fmt::format(" {} atoms before read\n",natoms_prev)
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+ fmt::format(" {} atoms in snapshot\n",nsnap_all)
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+ fmt::format(" {} atoms purged\n",npurge_all)
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+ fmt::format(" {} atoms replaced\n",nreplace_all)
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+ fmt::format(" {} atoms trimmed\n",ntrim_all)
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+ fmt::format(" {} atoms added\n",nadd_all)
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+ fmt::format(" {} atoms after read\n",atom->natoms));
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}
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/* ---------------------------------------------------------------------- */
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