Lines Matching refs:logfile

150       if (logfile) fprintf(logfile,  in end()
164 if (logfile) fprintf(logfile, in end()
179 if (logfile) fprintf(logfile,"\n"); in end()
203 if (logfile) { in end()
204 fprintf(logfile,"Minimization stats:\n"); in end()
205 fprintf(logfile," Stopping criterion = %s\n", in end()
207 fprintf(logfile," Energy initial, next-to-last, final = \n" in end()
211 fprintf(logfile," Force two-norm initial, final = %g %g\n", in end()
213 fprintf(logfile," Force max component initial, final = %g %g\n", in end()
216 fprintf(logfile," Final line search alpha, max atom move = %g %g\n", in end()
220 fprintf(logfile," Iterations, force evaluations = %d %d\n", in end()
231 if (logfile) fprintf(logfile,"\n"); in end()
235 if (logfile) fprintf(logfile,"PRD stats:\n"); in end()
244 if (logfile) in end()
245 fprintf(logfile," Dephase time (%%) = %g (%g)\n", in end()
256 if (logfile) in end()
257 fprintf(logfile," Dynamics time (%%) = %g (%g)\n", in end()
268 if (logfile) in end()
269 fprintf(logfile," Quench time (%%) = %g (%g)\n", in end()
280 if (logfile) in end()
281 fprintf(logfile," Other time (%%) = %g (%g)\n", in end()
291 if (logfile) fprintf(logfile,"\n"); in end()
295 if (logfile) fprintf(logfile,"TAD stats:\n"); in end()
304 if (logfile) in end()
305 fprintf(logfile," NEB time (%%) = %g (%g)\n", in end()
316 if (logfile) in end()
317 fprintf(logfile," Dynamics time (%%) = %g (%g)\n", in end()
328 if (logfile) in end()
329 fprintf(logfile," Quench time (%%) = %g (%g)\n", in end()
340 if (logfile) in end()
341 fprintf(logfile," Comm time (%%) = %g (%g)\n", in end()
352 if (logfile) in end()
353 fprintf(logfile," Output time (%%) = %g (%g)\n", in end()
365 if (logfile) in end()
366 fprintf(logfile," Modify time (%%) = %g (%g)\n", in end()
381 if(logfile) in end()
382 fprintf(logfile," Modify time [%d] (%%) = %g (%g)\n", p, in end()
398 if (logfile) in end()
399 fprintf(logfile," Other time (%%) = %g (%g)\n", in end()
409 if (logfile) fprintf(logfile,"\n"); in end()
419 if (logfile) in end()
420 fprintf(logfile,"Pair time (%%) = %g (%g)\n", in end()
432 if (logfile) in end()
433 fprintf(logfile,"Bond time (%%) = %g (%g)\n", in end()
446 if (logfile) in end()
447 fprintf(logfile,"Kspce time (%%) = %g (%g)\n", in end()
459 if (logfile) in end()
460 fprintf(logfile,"Neigh time (%%) = %g (%g)\n", in end()
471 if (logfile) in end()
472 fprintf(logfile,"Comm time (%%) = %g (%g)\n", in end()
483 if (logfile) in end()
484 fprintf(logfile,"Outpt time (%%) = %g (%g)\n", in end()
496 if (logfile) in end()
497 fprintf(logfile,"Modfy time (%%) = %g (%g)\n", in end()
512 if(logfile) in end()
513 fprintf(logfile," Modify time [%d] (%%) = %g (%g)\n", p, in end()
529 if (logfile) in end()
530 fprintf(logfile,"Other time (%%) = %g (%g)\n", in end()
549 if (logfile) in end()
550 fprintf(logfile,"Fix %s %s time (%%) = %g (%g)\n", in end()
562 if (logfile) in end()
563 fprintf(logfile," [%d] Fix %s %s time %g\n", p, fix->id, fix->style, fix_times[p]); in end()
580 if (logfile) fprintf(logfile,"\n"); in end()
629 if (logfile) { in end()
630 fprintf(logfile,"FFT time (%% of Kspce) = %g (%g)\n",time3d,fraction); in end()
631 fprintf(logfile,"FFT Gflps 3d (1d only) = %g %g\n",flop3,flop1); in end()
639 if (logfile) fprintf(logfile,"\n"); in end()
651 if (logfile) { in end()
652 fprintf(logfile,"Nlocal: %g ave %g max %g min\n",ave,max,min); in end()
653 fprintf(logfile,"Histogram:"); in end()
654 for (i = 0; i < 10; i++) fprintf(logfile," %d",histo[i]); in end()
655 fprintf(logfile,"\n"); in end()
668 if (logfile) { in end()
669 fprintf(logfile,"Nghost: %g ave %g max %g min\n",ave,max,min); in end()
670 fprintf(logfile,"Histogram:"); in end()
671 for (i = 0; i < 10; i++) fprintf(logfile," %d",histo[i]); in end()
672 fprintf(logfile,"\n"); in end()
705 if (logfile) { in end()
706 fprintf(logfile,"Neighs: %g ave %g max %g min\n",ave,max,min); in end()
707 fprintf(logfile,"Histogram:"); in end()
708 for (i = 0; i < 10; i++) fprintf(logfile," %d",histo[i]); in end()
709 fprintf(logfile,"\n"); in end()
739 if (logfile) { in end()
740 fprintf(logfile,"FullNghs: %g ave %g max %g min\n",ave,max,min); in end()
741 fprintf(logfile,"Histogram:"); in end()
742 for (i = 0; i < 10; i++) fprintf(logfile," %d",histo[i]); in end()
743 fprintf(logfile,"\n"); in end()
752 if (logfile) fprintf(logfile,"\n"); in end()
785 if (logfile) { in end()
787 fprintf(logfile, in end()
789 else fprintf(logfile,"Total # of neighbors = %g\n",nall); in end()
791 fprintf(logfile,"Ave neighs/atom = %g\n",nall/atom->natoms); in end()
793 fprintf(logfile,"Ave special neighs/atom = %g\n", in end()
795 fprintf(logfile,"Neighbor list builds = " BIGINT_FORMAT "\n", in end()
797 fprintf(logfile,"Dangerous builds = " BIGINT_FORMAT "\n", in end()
803 if (logfile) fflush(logfile); in end()