ICODE-ADC/lammps
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synchronize API with library.h, zero struct on allocation, determine exception support at runtime.

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This commit is contained in:
Axel Kohlmeyer
2023-01-13 05:30:49 -05:00
parent 59a9161435
commit b03e9609ce
3 changed files with 24 additions and 20 deletions
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17
examples/COUPLE/plugin/liblammpsplugin.c
View File

@ -56,7 +56,8 @@ liblammpsplugin_t *liblammpsplugin_load(const char *lib)
#endif
if (handle == NULL) return NULL;
lmp = (liblammpsplugin_t *) malloc(sizeof(liblammpsplugin_t));
lmp = (liblammpsplugin_t *) calloc(1, sizeof(liblammpsplugin_t));
lmp->abiversion = LAMMPSPLUGIN_ABI_VERSION;
lmp->handle = handle;
#ifdef _WIN32
@ -179,15 +180,11 @@ liblammpsplugin_t *liblammpsplugin_load(const char *lib)
ADDSYM(is_running);
ADDSYM(force_timeout);
#ifdef LAMMPS_EXCEPTIONS
lmp->has_exceptions = 1;
ADDSYM(has_error);
ADDSYM(get_last_error_message);
#else
lmp->has_exceptions = 0;
lmp->has_error = NULL;
lmp->get_last_error_message = NULL;
#endif
lmp->has_exceptions = lmp->config_has_exceptions();
if (lmp->has_exceptions) {
ADDSYM(has_error);
ADDSYM(get_last_error_message);
}
ADDSYM(python_api_version);
return lmp;

21
examples/COUPLE/plugin/liblammpsplugin.h
View File

@ -105,6 +105,7 @@ typedef void (*FixExternalFnPtr)(void *, int, int, int *, double **, double **);
typedef void (*FixExternalFnPtr)(void *, int64_t, int, int *, double **, double **);
#endif
#define LAMMPSPLUGIN_ABI_VERSION 1
struct _liblammpsplugin {
int abiversion;
int has_exceptions;
@ -153,19 +154,19 @@ struct _liblammpsplugin {
int (*extract_variable_datatype)(void *, const char *);
int (*set_variable)(void *, char *, char *);
void (*gather_atoms)(void *, char *, int, int, void *);
void (*gather_atoms_concat)(void *, char *, int, int, void *);
void (*gather_atoms_subset)(void *, char *, int, int, int, int *, void *);
void (*scatter_atoms)(void *, char *, int, int, void *);
void (*scatter_atoms_subset)(void *, char *, int, int, int, int *, void *);
void (*gather_atoms)(void *, const char *, int, int, void *);
void (*gather_atoms_concat)(void *, const char *, int, int, void *);
void (*gather_atoms_subset)(void *, const char *, int, int, int, int *, void *);
void (*scatter_atoms)(void *, const char *, int, int, void *);
void (*scatter_atoms_subset)(void *, const char *, int, int, int, int *, void *);
void (*gather_bonds)(void *, void *);
void (*gather)(void *, char *, int, int, void *);
void (*gather_concat)(void *, char *, int, int, void *);
void (*gather_subset)(void *, char *, int, int, int, int *,void *);
void (*scatter)(void *, char *, int, int, void *);
void (*scatter_subset)(void *, char *, int, int, int, int *, void *);
void (*gather)(void *, const char *, int, int, void *);
void (*gather_concat)(void *, const char *, int, int, void *);
void (*gather_subset)(void *, const char *, int, int, int, int *,void *);
void (*scatter)(void *, const char *, int, int, void *);
void (*scatter_subset)(void *, const char *, int, int, int, int *, void *);
/* lammps_create_atoms() takes tagint and imageint as args
* the ifdef insures they are compatible with rest of LAMMPS

6
examples/COUPLE/plugin/simple.c
View File

@ -92,6 +92,12 @@ int main(int narg, char **arg)
if (me == 0) printf("ERROR: Could not load shared LAMMPS library\n");
MPI_Abort(MPI_COMM_WORLD,1);
}
/* must match the plugin ABI version */
if (plugin->abiversion != LAMMPSPLUGIN_ABI_VERSION) {
if (me == 0) printf("ERROR: Plugin abi version does not match: %d vs %d\n",
plugin->abiversion, LAMMPSPLUGIN_ABI_VERSION);
MPI_Abort(MPI_COMM_WORLD,1);
}
}
if (lammps == 1) {
if (plugin->open == NULL) {