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multiple consistency improvements for restart files

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- make defines and enumerators automatically consistent by moving them to a shared header file
- change VERSION_NUMERIC to FORMAT_REVISION (and corresponding function names)
- new class member revision in ReadRestart class to allow backward compatibility
- step current FORMAT_REVISION to 1
- write the magic string a the end of each restart
- add a check, that skips to the end of a file and checks for the magic string and then returns
  but do this only if FORMAT_REVISION is 1 or larger for backward compatibility
This commit is contained in:
Axel Kohlmeyer
2020-01-31 10:49:59 -05:00
parent 668feb22b5
commit c021a2d185
3 changed files with 57 additions and 67 deletions
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85
src/read_restart.cpp
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@ -37,36 +37,10 @@
#include "error.h"
#include "utils.h"
#include "lmp_restart.h"
using namespace LAMMPS_NS;
// same as write_restart.cpp
#define MAGIC_STRING "LammpS RestartT"
#define ENDIAN 0x0001
#define ENDIANSWAP 0x1000
#define VERSION_NUMERIC 0
enum{VERSION,SMALLINT,TAGINT,BIGINT,
UNITS,NTIMESTEP,DIMENSION,NPROCS,PROCGRID,
NEWTON_PAIR,NEWTON_BOND,
XPERIODIC,YPERIODIC,ZPERIODIC,BOUNDARY,
ATOM_STYLE,NATOMS,NTYPES,
NBONDS,NBONDTYPES,BOND_PER_ATOM,
NANGLES,NANGLETYPES,ANGLE_PER_ATOM,
NDIHEDRALS,NDIHEDRALTYPES,DIHEDRAL_PER_ATOM,
NIMPROPERS,NIMPROPERTYPES,IMPROPER_PER_ATOM,
TRICLINIC,BOXLO,BOXHI,XY,XZ,YZ,
SPECIAL_LJ,SPECIAL_COUL,
MASS,PAIR,BOND,ANGLE,DIHEDRAL,IMPROPER,
MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
IMAGEINT,BOUNDMIN,TIMESTEP,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR,
EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM,
EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM,ATOM_MAXSPECIAL};
#define LB_FACTOR 1.1
/* ---------------------------------------------------------------------- */
ReadRestart::ReadRestart(LAMMPS *lmp) : Pointers(lmp) {}
@ -146,15 +120,15 @@ void ReadRestart::command(int narg, char **arg)
if (multiproc) delete [] hfile;
}
// read magic string, endian flag, numeric version
// read magic string, endian flag, format revision
magic_string();
endian();
int incompatible = version_numeric();
format_revision();
// read header info which creates simulation box
header(incompatible);
header();
domain->box_exist = 1;
// problem setup using info from header
@ -681,7 +655,7 @@ void ReadRestart::file_search(char *inpfile, char *outfile)
read header of restart file
------------------------------------------------------------------------- */
void ReadRestart::header(int incompatible)
void ReadRestart::header()
{
int xperiodic(-1),yperiodic(-1),zperiodic(-1);
@ -698,10 +672,20 @@ void ReadRestart::header(int incompatible)
if (screen) fprintf(screen," restart file = %s, LAMMPS = %s\n",
version,universe->version);
}
if (incompatible)
error->all(FLERR,"Restart file incompatible with current version");
delete [] version;
// we have no forward compatibility, thus exit with error
if (revision > FORMAT_REVISION)
error->all(FLERR,"Restart file format revision incompatible "
"with current LAMMPS version");
// warn when attempting to read older format revision
if ((me == 0) && (revision < FORMAT_REVISION))
error->warning(FLERR,"Old restart file format revision. "
"Switching to compatibility mode.");
// check lmptype.h sizes, error if different
} else if (flag == SMALLINT) {
@ -1242,11 +1226,36 @@ void ReadRestart::endian()
/* ----------------------------------------------------------------------
------------------------------------------------------------------------- */
int ReadRestart::version_numeric()
void ReadRestart::format_revision()
{
int vn = read_int();
if (vn != VERSION_NUMERIC) return 1;
return 0;
revision = read_int();
}
/* ----------------------------------------------------------------------
------------------------------------------------------------------------- */
void ReadRestart::check_eof_magic()
{
// no check for revision 0 restart files
if (revision < 1) return;
int n = strlen(MAGIC_STRING) + 1;
char *str = new char[n];
// read magic string at end of file and restore file pointer
if (me == 0) {
long curpos = ftell(fp);
fseek(fp,(long)-n,SEEK_END);
fread(str,sizeof(char),n,fp);
fseek(fp,curpos,SEEK_SET);
}
MPI_Bcast(str,n,MPI_CHAR,0,world);
if (strcmp(str,MAGIC_STRING) != 0)
error->all(FLERR,"Incomplete or corrupted LAMMPS restart file");
delete [] str;
}
/* ----------------------------------------------------------------------