AMBER Archive (2009)

Subject: RE: [AMBER] Error message in "make test.sander"

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue May 05 2009 - 22:37:28 CDT

Hi Catein,

This looks to me like you don't have write permission to the test directory.
If this works in serial but not in parallel it probably means that your
computer system is not setup correctly. Either whichever user account is
running the job in parallel does not have write permission or the file
system is mounted read only on the nodes the actual job is running on.

All the best
Ross

> -----Original Message-----
> From: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On
> Behalf Of Catein Catherine
> Sent: Tuesday, May 05, 2009 7:52 PM
> To: amber_at_ambermd.org
> Subject: [AMBER] Error message in "make test.sander"
>
>
> > Dear All,
> >
> >
> >
> > We compile amber 8 on our supercomputer without error message.
> However, we found we cannot run parallel (the jobs idle). So, I do the
> test.parallel according to the manual. Here is the error message that I
> found. Could you mind to let me know what's does it mean?
> >
> >
> >
> > Best regards & thanks,
> >
> >
> >
> > Cat
> >
> >
> >
> > [supercomputer]$ set DO_PARALLEL 'mpirun -np 4'
> > [supercomputer]$ make test.sander
> > cd dmp; ./Run.dmp
> >
> > Unit 6 Error on OPEN: mdout.dmp
> > [0] MPI Abort by user Aborting program !
> > [0] Aborting program!
> > p0_7963: p4_error: : 1
> > ./Run.dmp: Program error
> > make: *** [test.sander.no_lmod] Error 1
> > [supercomputer]$
> >
> >
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