309 |
|
} |
310 |
|
|
311 |
|
if(haveError) DieDieDie(); |
312 |
– |
|
313 |
– |
// If we've survived to here, format the line: |
312 |
|
|
313 |
< |
if (!isDirectional) { |
314 |
< |
|
315 |
< |
sprintf( tempBuffer, |
316 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
317 |
< |
atomTypeString, |
318 |
< |
atomData6[0], |
319 |
< |
atomData6[1], |
320 |
< |
atomData6[2], |
321 |
< |
atomData6[3], |
322 |
< |
atomData6[4], |
323 |
< |
atomData6[5]); |
324 |
< |
|
325 |
< |
strcpy( writeLine, tempBuffer ); |
326 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
327 |
< |
|
328 |
< |
} else { |
329 |
< |
|
330 |
< |
sprintf( tempBuffer, |
331 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
332 |
< |
atomTypeString, |
333 |
< |
atomData13[0], |
334 |
< |
atomData13[1], |
335 |
< |
atomData13[2], |
336 |
< |
atomData13[3], |
337 |
< |
atomData13[4], |
338 |
< |
atomData13[5], |
339 |
< |
atomData13[6], |
340 |
< |
atomData13[7], |
341 |
< |
atomData13[8], |
342 |
< |
atomData13[9], |
343 |
< |
atomData13[10], |
344 |
< |
atomData13[11], |
345 |
< |
atomData13[12]); |
346 |
< |
|
347 |
< |
strcat( writeLine, tempBuffer ); |
348 |
< |
|
349 |
< |
} |
313 |
> |
} |
314 |
> |
// If we've survived to here, format the line: |
315 |
> |
|
316 |
> |
if (!isDirectional) { |
317 |
> |
|
318 |
> |
sprintf( tempBuffer, |
319 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
320 |
> |
atomTypeString, |
321 |
> |
atomData6[0], |
322 |
> |
atomData6[1], |
323 |
> |
atomData6[2], |
324 |
> |
atomData6[3], |
325 |
> |
atomData6[4], |
326 |
> |
atomData6[5]); |
327 |
> |
|
328 |
> |
strcpy( writeLine, tempBuffer ); |
329 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
330 |
> |
|
331 |
> |
} else { |
332 |
> |
|
333 |
> |
sprintf( tempBuffer, |
334 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
335 |
> |
atomTypeString, |
336 |
> |
atomData13[0], |
337 |
> |
atomData13[1], |
338 |
> |
atomData13[2], |
339 |
> |
atomData13[3], |
340 |
> |
atomData13[4], |
341 |
> |
atomData13[5], |
342 |
> |
atomData13[6], |
343 |
> |
atomData13[7], |
344 |
> |
atomData13[8], |
345 |
> |
atomData13[9], |
346 |
> |
atomData13[10], |
347 |
> |
atomData13[11], |
348 |
> |
atomData13[12]); |
349 |
> |
|
350 |
> |
strcat( writeLine, tempBuffer ); |
351 |
|
|
353 |
– |
outFile << writeLine; |
354 |
– |
outFile.flush(); |
352 |
|
} |
353 |
+ |
|
354 |
+ |
outFile << writeLine; |
355 |
+ |
outFile.flush(); |
356 |
|
} |
357 |
+ |
|
358 |
|
|
359 |
|
outFile.flush(); |
360 |
|
sprintf( checkPointMsg, |
675 |
|
MPI_Recv(atomData13, 13, MPI_DOUBLE, which_node, |
676 |
|
myPotato, MPI_COMM_WORLD, &istatus); |
677 |
|
} else { |
678 |
+ |
printf("inside \n"); |
679 |
|
MPI_Recv(atomData6, 6, MPI_DOUBLE, which_node, |
680 |
|
myPotato, MPI_COMM_WORLD, &istatus); |
681 |
|
} |
739 |
|
} |
740 |
|
|
741 |
|
if(haveError) DieDieDie(); |
740 |
– |
|
741 |
– |
// If we've survived to here, format the line: |
742 |
|
|
743 |
< |
if (!isDirectional) { |
743 |
> |
} |
744 |
|
|
745 |
– |
sprintf( tempBuffer, |
746 |
– |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
747 |
– |
atomTypeString, |
748 |
– |
atomData6[0], |
749 |
– |
atomData6[1], |
750 |
– |
atomData6[2], |
751 |
– |
atomData6[3], |
752 |
– |
atomData6[4], |
753 |
– |
atomData6[5]); |
754 |
– |
|
755 |
– |
strcpy( writeLine, tempBuffer ); |
756 |
– |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
745 |
|
|
746 |
< |
} else { |
747 |
< |
|
748 |
< |
sprintf( tempBuffer, |
749 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
750 |
< |
atomTypeString, |
751 |
< |
atomData13[0], |
752 |
< |
atomData13[1], |
753 |
< |
atomData13[2], |
754 |
< |
atomData13[3], |
755 |
< |
atomData13[4], |
756 |
< |
atomData13[5], |
757 |
< |
atomData13[6], |
758 |
< |
atomData13[7], |
759 |
< |
atomData13[8], |
760 |
< |
atomData13[9], |
761 |
< |
atomData13[10], |
762 |
< |
atomData13[11], |
763 |
< |
atomData13[12]); |
764 |
< |
|
765 |
< |
strcat( writeLine, tempBuffer ); |
766 |
< |
|
767 |
< |
} |
746 |
> |
// If we've survived to here, format the line: |
747 |
> |
|
748 |
> |
if (!isDirectional) { |
749 |
> |
|
750 |
> |
sprintf( tempBuffer, |
751 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
752 |
> |
atomTypeString, |
753 |
> |
atomData6[0], |
754 |
> |
atomData6[1], |
755 |
> |
atomData6[2], |
756 |
> |
atomData6[3], |
757 |
> |
atomData6[4], |
758 |
> |
atomData6[5]); |
759 |
> |
|
760 |
> |
strcpy( writeLine, tempBuffer ); |
761 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
762 |
> |
|
763 |
> |
} else { |
764 |
> |
|
765 |
> |
sprintf( tempBuffer, |
766 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
767 |
> |
atomTypeString, |
768 |
> |
atomData13[0], |
769 |
> |
atomData13[1], |
770 |
> |
atomData13[2], |
771 |
> |
atomData13[3], |
772 |
> |
atomData13[4], |
773 |
> |
atomData13[5], |
774 |
> |
atomData13[6], |
775 |
> |
atomData13[7], |
776 |
> |
atomData13[8], |
777 |
> |
atomData13[9], |
778 |
> |
atomData13[10], |
779 |
> |
atomData13[11], |
780 |
> |
atomData13[12]); |
781 |
> |
|
782 |
> |
strcat( writeLine, tempBuffer ); |
783 |
|
|
781 |
– |
finalOut << writeLine; |
782 |
– |
finalOut.flush(); |
784 |
|
} |
785 |
+ |
|
786 |
+ |
finalOut << writeLine; |
787 |
+ |
finalOut.flush(); |
788 |
|
} |
789 |
< |
|
789 |
> |
|
790 |
|
finalOut.flush(); |
791 |
|
sprintf( checkPointMsg, |
792 |
|
"Sucessfully took a dump.\n"); |
793 |
|
delete[] potatoes; |
794 |
< |
|
794 |
> |
|
795 |
|
MPIcheckPoint(); |
796 |
|
|
797 |
|
} else { |