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lammps/src/read_restart.h
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read_restart.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef COMMAND_CLASS
CommandStyle(read_restart,ReadRestart)
#else
#ifndef LMP_READ_RESTART_H
#define LMP_READ_RESTART_H
#include <stdio.h>
#include "pointers.h"
namespace LAMMPS_NS {
class ReadRestart : protected Pointers {
public:
ReadRestart(class LAMMPS *);
void command(int, char **);
private:
int me,nprocs,nprocs_file,multiproc_file;
FILE *fp;
int multiproc; // 0 = proc 0 writes for all
// else # of procs writing files
// MPI-IO values
int mpiioflag; // 1 for MPIIO output, else 0
class RestartMPIIO *mpiio; // MPIIO for restart file input
bigint assignedChunkSize;
MPI_Offset assignedChunkOffset,headerOffset;
void file_search(char *, char *);
void header(int);
void type_arrays();
void force_fields();
void magic_string();
void endian();
int version_numeric();
void file_layout();
int read_int();
bigint read_bigint();
double read_double();
char *read_string();
void read_int_vec(int, int *);
void read_double_vec(int, double *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Cannot read_restart after simulation box is defined
The read_restart command cannot be used after a read_data,
read_restart, or create_box command.
E: Read restart MPI-IO input not allowed with % in filename
This is because a % signifies one file per processor and MPI-IO
creates one large file for all processors.
E: Reading from MPI-IO filename when MPIIO package is not installed
Self-explanatory.
E: Cannot open restart file %s
Self-explanatory.
E: Invalid flag in peratom section of restart file
The format of this section of the file is not correct.
E: Did not assign all restart atoms correctly
Atoms read in from the restart file were not assigned correctly to
processors. This is likely due to some atom coordinates being outside
a non-periodic simulation box. Normally this should not happen. You
may wish to use the "remap" option on the read_restart command to see
if this helps.
E: Cannot open dir to search for restart file
Using a "*" in the name of the restart file will open the current
directory to search for matching file names.
E: Found no restart file matching pattern
When using a "*" in the restart file name, no matching file was found.
E: Restart file incompatible with current version
This is probably because you are trying to read a file created with a
version of LAMMPS that is too old compared to the current version.
Use your older version of LAMMPS and convert the restart file
to a data file.
E: Smallint setting in lmptype.h is not compatible
Smallint stored in restart file is not consistent with LAMMPS version
you are running.
E: Imageint setting in lmptype.h is not compatible
Format of imageint stored in restart file is not consistent with
LAMMPS version you are running. See the settings in src/lmptype.h
E: Tagint setting in lmptype.h is not compatible
Format of tagint stored in restart file is not consistent with LAMMPS
version you are running. See the settings in src/lmptype.h
E: Bigint setting in lmptype.h is not compatible
Format of bigint stored in restart file is not consistent with LAMMPS
version you are running. See the settings in src/lmptype.h
E: Cannot run 2d simulation with nonperiodic Z dimension
Use the boundary command to make the z dimension periodic in order to
run a 2d simulation.
W: Restart file used different # of processors
The restart file was written out by a LAMMPS simulation running on a
different number of processors. Due to round-off, the trajectories of
your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
W: Restart file used different 3d processor grid
The restart file was written out by a LAMMPS simulation running on a
different 3d grid of processors. Due to round-off, the trajectories
of your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
W: Restart file used different newton pair setting, using input script value
The input script value will override the setting in the restart file.
W: Restart file used different newton bond setting, using restart file value
The restart file value will override the setting in the input script.
W: Restart file used different boundary settings, using restart file values
Your input script cannot change these restart file settings.
E: Illegal or unset periodicity in restart
This error should not normally occur unless the restart file is invalid.
E: Invalid flag in header section of restart file
Unrecognized entry in restart file.
E: Invalid flag in type arrays section of restart file
Unrecognized entry in restart file.
E: Invalid flag in force field section of restart file
Unrecognized entry in restart file.
E: Restart file is not a multi-proc file
The file is inconsistent with the filename you specified for it.
E: Restart file is a multi-proc file
The file is inconsistent with the filename you specified for it.
E: Restart file is a MPI-IO file
The file is inconsistent with the filename you specified for it.
E: Restart file is not a MPI-IO file
The file is inconsistent with the filename you specified for it.
E: Invalid LAMMPS restart file
The file does not appear to be a LAMMPS restart file since
it doesn't contain the correct magic string at the beginning.
E: Restart file byte ordering is swapped
The file was written on a machine with different byte-ordering than
the machine you are reading it on. Convert it to a text data file
instead, on the machine you wrote it on.
E: Restart file byte ordering is not recognized
The file does not appear to be a LAMMPS restart file since it doesn't
contain a recognized byte-orderomg flag at the beginning.
E: Illegal size string or corrupt restart
This error should not normally occur unless the restart file is invalid.
E: Illegal size integer vector read requested
This error should not normally occur unless the restart file is invalid.
E: Illegal size double vector read requested
This error should not normally occur unless the restart file is invalid.
*/
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