122 lines
3.0 KiB
C++
122 lines
3.0 KiB
C++
/*----------------------------------------------------------------------
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PuReMD - Purdue ReaxFF Molecular Dynamics Program
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Copyright (2010) Purdue University
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Hasan Metin Aktulga, hmaktulga@lbl.gov
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Joseph Fogarty, jcfogart@mail.usf.edu
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Sagar Pandit, pandit@usf.edu
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Ananth Y Grama, ayg@cs.purdue.edu
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Please cite the related publication:
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H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama,
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"Parallel Reactive Molecular Dynamics: Numerical Methods and
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Algorithmic Techniques", Parallel Computing, in press.
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This program is free software; you can redistribute it and/or
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modify it under the terms of the GNU General Public License as
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published by the Free Software Foundation; either version 2 of
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the License, or (at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
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See the GNU General Public License for more details:
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<http://www.gnu.org/licenses/>.
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----------------------------------------------------------------------*/
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#include "pair_reax_c.h"
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#include "reaxc_tool_box.h"
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struct timeval tim;
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double t_end;
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double Get_Time( )
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{
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gettimeofday(&tim, NULL );
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return( tim.tv_sec + (tim.tv_usec / 1000000.0) );
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}
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int Tokenize( char* s, char*** tok )
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{
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char test[MAX_LINE];
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const char *sep = (const char *)"\t \n\r\f!=";
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char *word;
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int count=0;
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strncpy( test, s, MAX_LINE );
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for( word = strtok(test, sep); word; word = strtok(NULL, sep) ) {
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strncpy( (*tok)[count], word, MAX_LINE );
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count++;
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}
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return count;
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}
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/* safe malloc */
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void *smalloc( rc_bigint n, const char *name, MPI_Comm comm )
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{
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void *ptr;
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if( n <= 0 ) {
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fprintf( stderr, "WARNING: trying to allocate %ld bytes for array %s. ",
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n, name );
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fprintf( stderr, "returning NULL.\n" );
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return NULL;
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}
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ptr = malloc( n );
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if( ptr == NULL ) {
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fprintf( stderr, "ERROR: failed to allocate %ld bytes for array %s",
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n, name );
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MPI_Abort( comm, INSUFFICIENT_MEMORY );
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}
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return ptr;
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}
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/* safe calloc */
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void *scalloc( rc_bigint n, rc_bigint size, const char *name, MPI_Comm comm )
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{
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void *ptr;
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if( n <= 0 ) {
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fprintf( stderr, "WARNING: trying to allocate %ld elements for array %s. ",
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n, name );
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fprintf( stderr, "returning NULL.\n" );
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return NULL;
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}
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if( size <= 0 ) {
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fprintf( stderr, "WARNING: elements size for array %s is %ld. ",
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name, size );
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fprintf( stderr, "returning NULL.\n" );
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return NULL;
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}
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ptr = calloc( n, size );
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if( ptr == NULL ) {
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fprintf( stderr, "ERROR: failed to allocate %ld bytes for array %s",
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n*size, name );
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MPI_Abort( comm, INSUFFICIENT_MEMORY );
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}
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return ptr;
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}
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/* safe free */
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void sfree( void *ptr, const char *name )
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{
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if( ptr == NULL ) {
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fprintf( stderr, "WARNING: trying to free the already NULL pointer %s!\n",
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name );
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return;
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}
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free( ptr );
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ptr = NULL;
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}
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