more use of utils::logmesg() and {fmt} (c4855d95) · Commits · 郑智淋 / lammps

src/lattice.cpp

+5 −8

Original line number	Diff line number	Diff line
		@@ -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));
		}

		/* ---------------------------------------------------------------------- */

src/read_restart.cpp

+23 −49

Original line number	Diff line number	Diff line
		@@ -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,

src/replicate.cpp

+3 −7

Original line number	Diff line number	Diff line
		@@ -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));
		}

src/special.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -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));
		}

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