[gmx-users] fatal errors in parallel but not on single processor
patflyon at hotmail.com
Tue Jan 22 04:43:13 CET 2008
Thanks for the solution to my problem! When running on a cluster I got strange fatal errors while writing energy info to file:> fatal error in function do_enx (line 343 of enxio.c)
> during the call:
> gmx_fatal(FARGS,"could not write energies")
David van der Spoel wrote:> This error usually means that either your box explodes, or your disk is > full. Could it be either of these problems?
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.
> Your symptoms are perplexing, but if you really managed to use the same > .tpr files, then that might be the problem. You need to define the > number of processes in the grompp command line that generates the .tpr file.
and Mark was correct, of course I did not use the same .tpr file from single processor to parallel.
Thanks so much for the advice!
Helping your favorite cause is as easy as instant messaging. You IM, we give.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users