forked from lijiext/lammps
Merge branch 'error' into integration
This commit is contained in:
commit
24409b6178
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@ -459,12 +459,11 @@ MPI version does not recognize “long long” data types. In this case
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“long” data type is likely already 64-bits, in which case this setting
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will convert to that data type.</p>
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<p>The -DLAMMPS_EXCEPTIONS setting can be used to activate alternative
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versions of error handling inside of LAMMPS. This is useful for
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external codes driving LAMMPS as a library. With this option, a
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LAMMPS error does not exit the driving process. Instead, the call
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stack is unwound and LAMMPS can return to the caller. The library
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interface provides the lammps_has_error() and
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lammps_get_last_error_message() functions which the caller can use to
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versions of error handling inside of LAMMPS. This is useful when
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external codes drive LAMMPS as a library. Using this option, LAMMPS
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errors do not kill the caller. Instead, the call stack is unwound and
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control returns to the caller. The library interface provides the
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lammps_has_error() and lammps_get_last_error_message() functions to
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detect and find out more about a LAMMPS error.</p>
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<p>Using one of the -DPACK_ARRAY, -DPACK_POINTER, and -DPACK_MEMCPY
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options can make for faster parallel FFTs (in the PPPM solver) on some
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@ -262,6 +262,7 @@ within the LAMMPS code. The options that are currently recogized are:
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-DLAMMPS_BIGBIG
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-DLAMMPS_SMALLSMALL
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-DLAMMPS_LONGLONG_TO_LONG
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-DLAMMPS_EXCEPTIONS
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-DPACK_ARRAY
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-DPACK_POINTER
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-DPACK_MEMCPY :ul
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@ -334,6 +335,14 @@ MPI version does not recognize "long long" data types. In this case a
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"long" data type is likely already 64-bits, in which case this setting
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will convert to that data type.
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The -DLAMMPS_EXCEPTIONS setting can be used to activate alternative
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versions of error handling inside of LAMMPS. This is useful when
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external codes drive LAMMPS as a library. Using this option, LAMMPS
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errors do not kill the caller. Instead, the call stack is unwound and
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control returns to the caller. The library interface provides the
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lammps_has_error() and lammps_get_last_error_message() functions to
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detect and find out more about a LAMMPS error.
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Using one of the -DPACK_ARRAY, -DPACK_POINTER, and -DPACK_MEMCPY
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options can make for faster parallel FFTs (in the PPPM solver) on some
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platforms. The -DPACK_ARRAY setting is the default. See the
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@ -150,6 +150,11 @@ class lammps(object):
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if cmd: cmd = cmd.encode()
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self.lib.lammps_command(self.lmp,cmd)
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if self.lib.lammps_has_error(self.lmp):
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sb = create_string_buffer(100)
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self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
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raise Exception(sb.value.decode().strip())
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def extract_global(self,name,type):
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if name: name = name.encode()
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if type == 0:
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@ -13,6 +13,7 @@
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#include <mpi.h>
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#include <stdlib.h>
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#include <string.h>
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#include "error.h"
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#include "universe.h"
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#include "output.h"
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@ -21,7 +22,7 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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Error::Error(LAMMPS *lmp) : Pointers(lmp) {}
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Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL) {}
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/* ----------------------------------------------------------------------
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called by all procs in universe
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@ -47,8 +48,14 @@ void Error::universe_all(const char *file, int line, const char *str)
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}
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if (universe->ulogfile) fclose(universe->ulogfile);
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#ifdef LAMMPS_EXCEPTIONS
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char msg[100];
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sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
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throw LAMMPSException(msg);
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#else
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MPI_Finalize();
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exit(1);
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#endif
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}
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/* ----------------------------------------------------------------------
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@ -61,7 +68,14 @@ void Error::universe_one(const char *file, int line, const char *str)
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if (universe->uscreen)
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fprintf(universe->uscreen,"ERROR on proc %d: %s (%s:%d)\n",
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universe->me,str,file,line);
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#ifdef LAMMPS_EXCEPTIONS
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char msg[100];
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sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
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throw LAMMPSAbortException(msg, universe->uworld);
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#else
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MPI_Abort(universe->uworld,1);
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#endif
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}
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/* ----------------------------------------------------------------------
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@ -95,6 +109,16 @@ void Error::all(const char *file, int line, const char *str)
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if (logfile) fprintf(logfile,"ERROR: %s (%s:%d)\n",str,file,line);
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}
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#ifdef LAMMPS_EXCEPTIONS
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char msg[100];
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sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
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if (universe->nworlds > 1) {
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throw LAMMPSAbortException(msg, universe->uworld);
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}
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throw LAMMPSException(msg);
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#else
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if (output) delete output;
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if (screen && screen != stdout) fclose(screen);
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if (logfile) fclose(logfile);
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@ -102,6 +126,7 @@ void Error::all(const char *file, int line, const char *str)
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if (universe->nworlds > 1) MPI_Abort(universe->uworld,1);
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MPI_Finalize();
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exit(1);
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#endif
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}
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/* ----------------------------------------------------------------------
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@ -121,7 +146,14 @@ void Error::one(const char *file, int line, const char *str)
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if (universe->uscreen)
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fprintf(universe->uscreen,"ERROR on proc %d: %s (%s:%d)\n",
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universe->me,str,file,line);
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#ifdef LAMMPS_EXCEPTIONS
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char msg[100];
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sprintf(msg, "ERROR on proc %d: %s (%s:%d)\n", me, str, file, line);
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throw LAMMPSAbortException(msg, world);
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#else
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MPI_Abort(world,1);
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#endif
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}
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/* ----------------------------------------------------------------------
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@ -165,3 +197,31 @@ void Error::done(int status)
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MPI_Finalize();
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exit(status);
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}
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/* ----------------------------------------------------------------------
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return the last error message reported by LAMMPS (only used if
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compiled with -DLAMMPS_EXCEPTIONS)
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------------------------------------------------------------------------- */
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char * Error::get_last_error() const
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{
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return last_error_message;
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}
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/* ----------------------------------------------------------------------
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set the last error message (only used if compiled with
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-DLAMMPS_EXCEPTIONS)
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------------------------------------------------------------------------- */
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void Error::set_last_error(const char * msg)
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{
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delete [] last_error_message;
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if(msg) {
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last_error_message = new char[strlen(msg)+1];
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strcpy(last_error_message, msg);
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} else {
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last_error_message = NULL;
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}
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}
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34
src/error.h
34
src/error.h
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@ -15,10 +15,41 @@
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#define LMP_ERROR_H
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#include "pointers.h"
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#include <string>
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#include <exception>
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namespace LAMMPS_NS {
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class LAMMPSException : public std::exception
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{
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public:
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std::string message;
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LAMMPSException(std::string msg) : message(msg) {
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}
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~LAMMPSException() throw() {
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}
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virtual const char * what() const throw() {
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return message.c_str();
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}
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};
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class LAMMPSAbortException : public LAMMPSException {
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public:
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MPI_Comm universe;
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LAMMPSAbortException(std::string msg, MPI_Comm universe) :
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LAMMPSException(msg),
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universe(universe)
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{
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}
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};
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class Error : protected Pointers {
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char * last_error_message;
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public:
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Error(class LAMMPS *);
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void warning(const char *, int, const char *, int = 1);
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void message(const char *, int, const char *, int = 1);
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void done(int = 0); // 1 would be fully backwards compatible
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char * get_last_error() const;
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void set_last_error(const char * msg);
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};
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}
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@ -108,8 +108,15 @@ void lammps_file(void *ptr, char *str)
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char *lammps_command(void *ptr, char *str)
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{
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LAMMPS *lmp = (LAMMPS *) ptr;
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return lmp->input->one(str);
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LAMMPS * lmp = (LAMMPS *) ptr;
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Error * error = lmp->error;
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try {
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return lmp->input->one(str);
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} catch(LAMMPSException & e) {
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error->set_last_error(e.message.c_str());
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return NULL;
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}
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}
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/* ----------------------------------------------------------------------
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}
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}
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}
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/* ----------------------------------------------------------------------
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Check if a new error message
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------------------------------------------------------------------------- */
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int lammps_has_error(void *ptr) {
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LAMMPS * lmp = (LAMMPS *) ptr;
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Error * error = lmp->error;
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return error->get_last_error() ? 1 : 0;
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}
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/* ----------------------------------------------------------------------
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Copy the last error message of LAMMPS into a character buffer
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------------------------------------------------------------------------- */
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int lammps_get_last_error_message(void *ptr, char * buffer, int buffer_size) {
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LAMMPS * lmp = (LAMMPS *) ptr;
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Error * error = lmp->error;
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if(error->get_last_error()) {
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strncpy(buffer, error->get_last_error(), buffer_size-1);
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error->set_last_error(NULL);
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return 1;
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}
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return 0;
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}
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@ -45,6 +45,9 @@ int lammps_get_natoms(void *);
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void lammps_gather_atoms(void *, char *, int, int, void *);
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void lammps_scatter_atoms(void *, char *, int, int, void *);
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int lammps_has_error(void *);
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int lammps_get_last_error_message(void *, char *, int);
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#ifdef __cplusplus
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}
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#endif
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17
src/main.cpp
17
src/main.cpp
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#include <mpi.h>
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#include "lammps.h"
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#include "input.h"
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#include "error.h"
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#include <stdio.h>
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#include <stdlib.h>
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using namespace LAMMPS_NS;
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{
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MPI_Init(&argc,&argv);
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#ifdef LAMMPS_EXCEPTIONS
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try {
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LAMMPS *lammps = new LAMMPS(argc,argv,MPI_COMM_WORLD);
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lammps->input->file();
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delete lammps;
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} catch(LAMMPSAbortException & ae) {
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MPI_Abort(ae.universe, 1);
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} catch(LAMMPSException & e) {
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MPI_Finalize();
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exit(1);
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}
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#else
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LAMMPS *lammps = new LAMMPS(argc,argv,MPI_COMM_WORLD);
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lammps->input->file();
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delete lammps;
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#endif
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MPI_Barrier(MPI_COMM_WORLD);
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MPI_Finalize();
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}
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