added Verlet scheme and NxN non-bonded functionality
[gromacs.git] / src / gmxlib / gmx_fatal.c
blobf4131d6d15ea16f041da948e97c78809783b5006
1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
3 *
4 * This source code is part of
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9 *
10 * VERSION 3.2.0
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
12 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
13 * Copyright (c) 2001-2004, The GROMACS development team,
14 * check out http://www.gromacs.org for more information.
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17 * modify it under the terms of the GNU General Public License
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34 * GROningen Mixture of Alchemy and Childrens' Stories
36 #ifdef HAVE_CONFIG_H
37 #include <config.h>
38 #endif
40 #include <sysstuff.h>
41 #include <ctype.h>
42 #include <errno.h>
43 #include <stdarg.h>
44 #include <string.h>
45 #include "futil.h"
46 #include "statutil.h"
47 #include "main.h"
48 #include "network.h"
49 #include "gmx_fatal.h"
50 #include "copyrite.h"
51 #include "macros.h"
52 #include "string2.h"
53 #include "smalloc.h"
54 #include "gmxfio.h"
56 #ifdef GMX_LIB_MPI
57 #include <mpi.h>
58 #endif
59 #ifdef GMX_THREAD_MPI
60 #include "tmpi.h"
61 #endif
63 static gmx_bool bDebug = FALSE;
64 static char *fatal_tmp_file = NULL;
65 static FILE *log_file = NULL;
67 #ifdef GMX_THREAD_MPI
68 static tMPI_Thread_mutex_t debug_mutex=TMPI_THREAD_MUTEX_INITIALIZER;
69 static tMPI_Thread_mutex_t where_mutex=TMPI_THREAD_MUTEX_INITIALIZER;
70 static tMPI_Thread_mutex_t fatal_tmp_mutex=TMPI_THREAD_MUTEX_INITIALIZER;
71 #endif
74 gmx_bool bDebugMode(void)
76 gmx_bool ret;
77 /*#ifdef GMX_THREAD_MPI*/
78 #if 0
79 tMPI_Thread_mutex_lock(&debug_mutex);
80 #endif
81 ret=bDebug;
82 /*#ifdef GMX_THREAD_MPI*/
83 #if 0
84 tMPI_Thread_mutex_unlock(&debug_mutex);
85 #endif
86 return bDebug;
89 void gmx_fatal_set_log_file(FILE *fp)
91 log_file = fp;
94 void _where(const char *file,int line)
96 static gmx_bool bFirst = TRUE;
97 static int nskip = -1;
98 static int nwhere = 0;
99 FILE *fp;
100 char *temp;
102 if ( bFirst ) {
103 #ifdef GMX_THREAD_MPI
104 tMPI_Thread_mutex_lock(&where_mutex);
105 if (bFirst) /* we repeat the check in the locked section because things
106 might have changed */
108 #endif
109 if ((temp=getenv("WHERE")) != NULL)
110 nskip = strtol(temp, NULL, 10);
111 bFirst = FALSE;
112 #ifdef GMX_THREAD_MPI
114 tMPI_Thread_mutex_unlock(&where_mutex);
115 #endif
119 if (nskip >= 0) {
120 /* Skip the first n occasions, this allows to see where it goes wrong */
121 if (nwhere >= nskip) {
122 if (log_file)
123 fp = log_file;
124 else
125 fp = stderr;
126 fprintf(fp,"WHERE %d, file %s - line %d\n",nwhere,file,line);
128 nwhere++;
132 static void bputc(char *msg,int *len,char ch)
134 msg[(*len)++]=ch;
137 static void bputs(char *msg,int *len,const char *s,int fld)
139 for (fld-=(int)strlen(s); fld>0; fld--)
140 bputc(msg,len,' ');
141 while (*s)
142 bputc(msg,len,*(s++));
145 static void bputd(char *msg,int *len,int d)
147 if (d<10) bputc(msg,len,d+'0'); else bputc(msg,len,d-10+'a');
150 static void bputi(char *msg,int *len,int val,int radix,int fld,gmx_bool bNeg)
152 int fmax=0;
154 if (bNeg)
155 fmax=1;
157 if (val<radix)
159 for (fld--; fld>fmax; fld--)
160 bputc(msg,len,' ');
161 if (bNeg)
162 bputc(msg,len,'-');
163 bputd(msg,len,val);
165 else
167 if (bNeg)
168 bputc(msg,len,'-');
169 bputi(msg,len,val/radix,radix,fld-1,FALSE);
170 bputd(msg,len,val%radix);
174 static int getfld(const char **p)
176 int fld;
178 fld=0;
179 while (isdigit(**p)) fld=(fld*10)+((*((*p)++))-'0');
180 return fld;
183 /*static void _halt(char *file,int line,char *reason)
185 fprintf(stderr,"\nHALT in file %s line %d because:\n\t%s\n",
186 file,line,reason);
187 exit(1);
191 static int fatal_errno = 0;
193 static void quit_gmx(const char *msg)
195 #ifdef GMX_THREAD_MPI
196 tMPI_Thread_mutex_lock(&debug_mutex);
197 #endif
198 if (fatal_errno == 0)
200 if (log_file)
202 fprintf(log_file,"%s\n",msg);
204 fprintf(stderr,"%s\n",msg);
205 /* we set it to no-zero because if this function is called, something
206 has gone wrong */
207 fatal_errno=255;
209 else
211 if (fatal_errno != -1)
213 errno=fatal_errno;
215 perror(msg);
218 #ifdef GMX_LIB_MPI
219 if (gmx_mpi_initialized())
221 int nnodes;
222 int noderank;
224 nnodes = gmx_node_num();
225 noderank = gmx_node_rank();
227 if (nnodes > 1)
229 fprintf(stderr,"Error on node %d, will try to stop all the nodes\n",
230 noderank);
232 gmx_abort(noderank,nnodes,-1);
234 #endif
236 if (debug)
238 fflush(debug);
240 if (bDebugMode())
242 fprintf(stderr,"dump core (y/n):");
243 fflush(stderr);
244 if (toupper(getc(stdin))!='N')
246 (void) abort();
250 exit(fatal_errno);
251 #ifdef GMX_THREAD_MPI
252 tMPI_Thread_mutex_unlock(&debug_mutex);
253 #endif
256 /* The function below should be identical to quit_gmx,
257 * except that is does not actually quit and call gmx_abort.
259 static void quit_gmx_noquit(const char *msg)
261 #ifdef GMX_THREAD_MPI
262 tMPI_Thread_mutex_lock(&debug_mutex);
263 #endif
264 if (!fatal_errno)
266 if (log_file)
267 fprintf(log_file,"%s\n",msg);
268 fprintf(stderr,"%s\n",msg);
269 /* we set it to no-zero because if this function is called, something
270 has gone wrong */
271 fatal_errno=255;
273 else
275 if (fatal_errno != -1)
276 errno=fatal_errno;
277 perror(msg);
280 #ifndef GMX_LIB_MPI
281 if (debug)
283 fflush(debug);
285 if (bDebugMode())
287 fprintf(stderr,"dump core (y/n):");
288 fflush(stderr);
289 if (toupper(getc(stdin))!='N')
291 (void) abort();
294 #endif
296 #ifdef GMX_THREAD_MPI
297 tMPI_Thread_mutex_unlock(&debug_mutex);
298 #endif
301 void _set_fatal_tmp_file(const char *fn, const char *file, int line)
303 #ifdef GMX_THREAD_MPI
304 tMPI_Thread_mutex_lock(&fatal_tmp_mutex);
305 #endif
306 if (fatal_tmp_file == NULL)
307 fatal_tmp_file = strdup(fn);
308 else
309 fprintf(stderr,"BUGWARNING: fatal_tmp_file already set at %s:%d",
310 file,line);
311 #ifdef GMX_THREAD_MPI
312 tMPI_Thread_mutex_unlock(&fatal_tmp_mutex);
313 #endif
316 void _unset_fatal_tmp_file(const char *fn, const char *file, int line)
318 #ifdef GMX_THREAD_MPI
319 tMPI_Thread_mutex_lock(&fatal_tmp_mutex);
320 #endif
321 if (strcmp(fn,fatal_tmp_file) == 0) {
322 sfree(fatal_tmp_file);
323 fatal_tmp_file = NULL;
324 } else
325 fprintf(stderr,"BUGWARNING: file %s not set as fatal_tmp_file at %s:%d",
326 fn,file,line);
327 #ifdef GMX_THREAD_MPI
328 tMPI_Thread_mutex_unlock(&fatal_tmp_mutex);
329 #endif
332 static void clean_fatal_tmp_file()
334 #ifdef GMX_THREAD_MPI
335 tMPI_Thread_mutex_lock(&fatal_tmp_mutex);
336 #endif
337 if (fatal_tmp_file) {
338 fprintf(stderr,"Cleaning up temporary file %s\n",fatal_tmp_file);
339 remove(fatal_tmp_file);
340 sfree(fatal_tmp_file);
341 fatal_tmp_file = NULL;
343 #ifdef GMX_THREAD_MPI
344 tMPI_Thread_mutex_unlock(&fatal_tmp_mutex);
345 #endif
348 static void parse_printf_args(const char *fmt,va_list *ap,char *msg)
350 int len;
351 const char *p;
352 char cval,*sval;
353 char ibuf[64],ifmt[64];
354 int index,ival,fld;
355 double dval;
357 len = 0;
358 for(p=fmt; *p; p++)
360 if (*p!='%')
362 bputc(msg,&len,*p);
364 else
366 p++;
367 fld = getfld(&p);
368 switch(*p) {
369 case 'x':
370 ival = va_arg(*ap,int);
371 sprintf(ifmt,"0x%%%dx",fld);
372 sprintf(ibuf,ifmt,(unsigned int)ival);
373 for(index=0; (index<(int)strlen(ibuf)); index++)
374 bputc(msg,&len,ibuf[index]);
375 break;
376 case 'd':
377 ival = va_arg(*ap,int);
378 sprintf(ifmt,"%%%dd",fld);
379 sprintf(ibuf,ifmt,ival);
380 for(index=0; (index<(int)strlen(ibuf)); index++)
381 bputc(msg,&len,ibuf[index]);
382 break;
383 case 'u':
384 ival = va_arg(*ap,unsigned);
385 sprintf(ifmt,"%%%du",fld);
386 sprintf(ibuf,ifmt,ival);
387 for(index=0; (index<(int)strlen(ibuf)); index++)
388 bputc(msg,&len,ibuf[index]);
389 break;
390 case 'f':
391 dval = va_arg(*ap,double);
392 sprintf(ifmt,"%%%df",fld);
393 sprintf(ibuf,ifmt,dval);
394 for(index=0; (index<(int)strlen(ibuf)); index++)
395 bputc(msg,&len,ibuf[index]);
396 break;
397 case 'g':
398 dval = va_arg(*ap,double);
399 sprintf(ifmt,"%%%dg",fld);
400 sprintf(ibuf,ifmt,dval);
401 for(index=0; (index<(int)strlen(ibuf)); index++)
402 bputc(msg,&len,ibuf[index]);
403 break;
404 case 'c':
405 cval = (char) va_arg(*ap,int); /* char is promoted to int */
406 bputc(msg,&len,cval);
407 break;
408 case 's':
409 sval = va_arg(*ap,char *);
410 if (sval == NULL)
411 sval = strdup("(null)");
412 bputs(msg,&len,sval,fld);
413 break;
414 case '%':
415 bputc(msg,&len,*p);
416 break;
417 default:
418 break;
423 bputc(msg,&len,'\0');
426 void gmx_fatal(int f_errno,const char *file,int line,const char *fmt,...)
428 va_list ap;
429 char msg[STRLEN];
431 va_start(ap,fmt);
433 clean_fatal_tmp_file();
435 parse_printf_args(fmt,&ap,msg);
437 va_end(ap);
439 #ifdef GMX_THREAD_MPI
440 tMPI_Thread_mutex_lock(&debug_mutex);
441 #endif
443 fatal_errno = f_errno;
445 #ifdef GMX_THREAD_MPI
446 tMPI_Thread_mutex_unlock(&debug_mutex);
447 #endif
449 _gmx_error("fatal",msg,file,line);
452 void gmx_fatal_collective(int f_errno,const char *file,int line,
453 const t_commrec *cr,gmx_domdec_t *dd,
454 const char *fmt,...)
456 gmx_bool bFinalize;
457 va_list ap;
458 char msg[STRLEN];
459 #ifdef GMX_MPI
460 int result;
461 #endif
463 bFinalize = TRUE;
465 #ifdef GMX_MPI
466 /* Check if we are calling on all processes in MPI_COMM_WORLD */
467 if (cr != NULL)
469 MPI_Comm_compare(cr->mpi_comm_mysim,MPI_COMM_WORLD,&result);
471 else
473 MPI_Comm_compare(dd->mpi_comm_all,MPI_COMM_WORLD,&result);
475 /* Any result except MPI_UNEQUAL allows us to call MPI_Finalize */
476 bFinalize = (result != MPI_UNEQUAL);
477 #endif
479 if ((cr != NULL && MASTER(cr) ) ||
480 (dd != NULL && DDMASTER(dd)))
482 va_start(ap,fmt);
484 clean_fatal_tmp_file();
486 parse_printf_args(fmt,&ap,msg);
488 va_end(ap);
490 #ifdef GMX_THREAD_MPI
491 tMPI_Thread_mutex_lock(&debug_mutex);
492 #endif
494 fatal_errno = f_errno;
496 #ifdef GMX_THREAD_MPI
497 tMPI_Thread_mutex_unlock(&debug_mutex);
498 #endif
500 if (bFinalize)
502 /* Use an error handler that does not quit */
503 set_gmx_error_handler(quit_gmx_noquit);
506 _gmx_error("fatal",msg,file,line);
509 #ifdef GMX_MPI
510 if (bFinalize)
512 /* Broadcast the fatal error number possibly modified
513 * on the master process, in case the user would like
514 * to use the return status on a non-master process.
515 * The master process in cr and dd always has global rank 0.
517 MPI_Bcast(&fatal_errno,sizeof(fatal_errno),MPI_BYTE,
518 0,MPI_COMM_WORLD);
520 /* Finalize nicely instead of aborting */
521 MPI_Finalize();
523 else
525 /* Let all other processes wait till the master has printed
526 * the error message and issued MPI_Abort.
528 MPI_Barrier(MPI_COMM_WORLD);
530 #endif
532 exit(fatal_errno);
535 void _invalid_case(const char *fn,int line)
537 gmx_fatal(FARGS,"Invalid case in switch statement, file %s, line %d",
538 fn,line);
541 void _unexpected_eof(const char *fn,int line,const char *srcfn,int srcline)
543 gmx_fatal(FARGS,"Unexpected end of file in file %s at line %d\n"
544 "(Source file %s, line %d)",fn,line,srcfn,srcline);
548 * These files are global variables in the gromacs preprocessor
549 * Every routine in a file that includes gmx_fatal.h can write to these
550 * debug channels. Depending on the debuglevel used
551 * 0 to 3 of these filed are redirected to /dev/null
554 FILE *debug=NULL;
555 gmx_bool gmx_debug_at=FALSE;
557 void init_debug (const int dbglevel,const char *dbgfile)
559 #ifdef GMX_THREAD_MPI
560 tMPI_Thread_mutex_lock(&debug_mutex);
561 #endif
562 if (!bDebug) /* another thread hasn't already run this*/
564 no_buffers();
565 debug=gmx_fio_fopen(dbgfile,"w+");
566 bDebug = TRUE;
567 if (dbglevel >= 2)
568 gmx_debug_at = TRUE;
570 #ifdef GMX_THREAD_MPI
571 tMPI_Thread_mutex_unlock(&debug_mutex);
572 #endif
575 #if (defined __sgi && defined USE_SGI_FPE)
576 static void user_routine(unsigned us[5], int ii[2])
578 fprintf(stderr,"User routine us=(%u,%u,%u,%u,%u) ii=(%d,%d)\n",
579 us[0],us[1],us[2],us[3],us[4],ii[0],ii[1]);
580 fprintf(stderr,"Exception encountered! Dumping core\n");
581 abort();
584 static void abort_routine(unsigned int **ii)
586 fprintf(stderr,"Abort routine\n");
587 abort();
590 static void handle_signals(int n)
592 fprintf(stderr,"Handle signals: n = %d\n",n);
593 fprintf(stderr,"Dumping core\n");
594 abort();
597 void doexceptions(void)
599 #include <sigfpe.h>
600 #include <signal.h>
601 int hs[] = { SIGILL, SIGFPE, SIGTRAP, SIGEMT, SIGSYS };
603 int onoff,en_mask,abort_action,i;
605 #ifdef GMX_THREAD_MPI
606 tMPI_Thread_mutex_lock(&debug_mutex);
607 #endif
608 onoff = _DEBUG;
609 en_mask = _EN_UNDERFL | _EN_OVERFL | _EN_DIVZERO |
610 _EN_INVALID | _EN_INT_OVERFL;
611 abort_action = _ABORT_ON_ERROR;
612 handle_sigfpes(onoff,en_mask,user_routine,abort_action,abort_routine);
614 for(i=0; (i<asize(hs)); i++)
615 signal(hs[i],handle_signals);
616 #ifdef GMX_THREAD_MPI
617 tMPI_Thread_mutex_unlock(&debug_mutex);
618 #endif
620 #endif /* __sgi and FPE */
622 static const char *gmxuser = "Please report this to the mailing list (gmx-users@gromacs.org)";
624 static void (*gmx_error_handler)(const char *msg) = quit_gmx;
626 void set_gmx_error_handler(void (*func)(const char *msg))
628 #ifdef GMX_THREAD_MPI
629 tMPI_Thread_mutex_lock(&debug_mutex);
630 #endif
631 gmx_error_handler = func;
632 #ifdef GMX_THREAD_MPI
633 tMPI_Thread_mutex_unlock(&debug_mutex);
634 #endif
637 char *gmx_strerror(const char *key)
639 typedef struct {
640 const char *key,*msg;
641 } error_msg_t;
642 error_msg_t msg[] = {
643 { "bug", "Possible bug" },
644 { "call", "Routine should not have been called" },
645 { "comm", "Communication (parallel processing) problem" },
646 { "fatal", "Fatal error" },
647 { "cmd", "Invalid command line argument" },
648 { "file", "File input/output error" },
649 { "impl", "Implementation restriction" },
650 { "incons", "Software inconsistency error" },
651 { "input", "Input error or input inconsistency" },
652 { "mem", "Memory allocation/freeing error" },
653 { "open", "Can not open file" },
654 { "range", "Range checking error" }
656 #define NMSG asize(msg)
657 char buf[1024];
658 size_t i;
660 if (key == NULL)
661 return strdup("Empty message");
662 else {
663 for(i=0; (i<NMSG); i++)
664 if (strcmp(key,msg[i].key) == 0)
665 break;
666 if (i == NMSG) {
667 sprintf(buf,"No error message associated with key %s\n%s",key,gmxuser);
668 return strdup(buf);
670 else
671 return strdup(msg[i].msg);
676 void _gmx_error(const char *key,const char *msg,const char *file,int line)
678 char buf[10240],tmpbuf[1024],errerrbuf[1024];
679 int cqnum;
680 const char *llines = "-------------------------------------------------------";
681 char *strerr;
683 /* protect the audience from suggestive discussions */
685 if (msg == NULL)
687 sprintf(errerrbuf,"Empty fatal_error message. %s",gmxuser);
690 cool_quote(tmpbuf,1023,&cqnum);
691 strerr = gmx_strerror(key);
692 sprintf(buf,"\n%s\nProgram %s, %s\n"
693 "Source code file: %s, line: %d\n\n"
694 "%s:\n%s\nFor more information and tips for troubleshooting, please check the GROMACS\n"
695 "website at http://www.gromacs.org/Documentation/Errors\n%s\n\n%s\n",
696 llines,ShortProgram(),GromacsVersion(),file,line,
697 strerr,msg ? msg : errerrbuf,llines,tmpbuf);
698 free(strerr);
700 gmx_error_handler(buf);
703 void _range_check(int n,int n_min,int n_max,const char *warn_str,
704 const char *var,const char *file,int line)
706 char buf[1024];
708 if ((n < n_min) || (n >= n_max)) {
709 if (warn_str != NULL) {
710 strcpy(buf,warn_str);
711 strcat(buf,"\n");
713 else
714 buf[0] = '\0';
716 sprintf(buf+strlen(buf),"Variable %s has value %d. It should have been "
717 "within [ %d .. %d ]\n",var,n,n_min,n_max);
719 _gmx_error("range",buf,file,line);
723 void gmx_warning(const char *fmt,...)
725 va_list ap;
726 char msg[STRLEN];
728 va_start(ap,fmt);
730 parse_printf_args(fmt,&ap,msg);
732 va_end(ap);
734 fprintf(stderr,"\nWARNING: %s\n\n",msg);