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Thanks for the solution to my problem! When running on a cluster I got strange fatal errors while writing energy info to file:<BR>> fatal error in function do_enx (line 343 of enxio.c)<BR>
> during the call:<BR>
> gmx_fatal(FARGS,"could not write energies")<BR>
<BR>
David van der Spoel wrote:<BR>> This error usually means that either your box explodes, or your disk is <BR>> full. Could it be either of these problems?<BR>
<BR>
Thanks so much, David, you found the problem! I was given access to a partition with more disk space and did not have any fatal write error. <BR>
<BR>
> Your symptoms are perplexing, but if you really managed to use the same <BR>> .tpr files, then that might be the problem. You need to define the <BR>> number of processes in the grompp command line that generates the .tpr file.<BR><BR>
and Mark was correct, of course I did not use the same .tpr file from single processor to parallel. <BR>
<BR>
Thanks so much for the advice!<BR>
-Patricia<BR>
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