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