AMBER Archive (2009)

Subject: RE: [AMBER] Fortran error in standard simulation

From: Ross Walker (
Date: Tue Nov 24 2009 - 10:21:33 CST

Hi Oliver,

> I'm doing standard simulation with pmemd. I'm running the production
> phase in separate 0.5ns trajectory pieces.
> After a while, the following error occurs (- this happens in many
> simulations):
> ...
> + mpirun -np 4 /usr/local/amber10/exe/pmemd -O -i -o prod14.out
> -p -c prod13.rst -r prod14.rst -x prod14.mdcrd
> + mpirun -np 4 /usr/local/amber10/exe/pmemd -O -i -o prod15.out
> -p -c prod14.rst -r prod15.rst -x prod15.mdcrd
> At line 503 of file runfiles.f90 (unit = 16, file = 'prod15.rst')
> Fortran runtime error: End of file

This is a strange error to be getting. I'd expect to see such an error on
reading the file but not normally on writing it. Are you certain you aren't
running out of disk space or filling your quota? This sort of thing could
cause such an error. Out of interest what is the contents of prod15.rst,
does it get written successfully at all? As in during the run and then at
some point while it is being updated it fails?

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
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