It doesn't seem to be getting that far - there is no file with that name.
Maybe I should mention that I am getting a warning:
An MPI process has executed an operation involving a call to the
"fork()" system call to create a child process. Open MPI is currently
operating in a condition that could result in memory corruption or
other system errors; your MPI job may hang, crash, or produce silent
data corruption. The use of fork() (or system() or other calls that
create child processes) is strongly discouraged.
The process that invoked fork was:
Local host: jasper.westgrid.ca (PID 19790)
MPI_COMM_WORLD rank: 0
Could this be related to the problem?
Thanks,
Holly
On Wed, Aug 20, 2014 at 11:31 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Wed, Aug 20, 2014 at 1:24 PM, Hallel Freedman <hfreedma.ualberta.ca>
> wrote:
>
> > No I didn't get any other error message. So why do you think I might be
> > getting
> > CalcError: /global/software/amber/amber14/bin/sander failed with prmtop
> > ./nw.complex.top!
> >
>
> ​Look in the output file _MMPBSA_complex_gb.mdout.0 and see if there is an
> error message in there.
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Aug 20 2014 - 11:00:03 PDT
