Hi Kim,
As far as I can make out things were broken between the 3rd October and the
4th October. Try the following test case with your October 6th tree:
mpirun -np 2 $AMBERHOME/exe/sander.MPI -O
And see if the mdout file matches the mdout.save file.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of Kim F. Wong
> Sent: Thursday, October 12, 2006 12:51
> To: amber-developers.scripps.edu
> Subject: Re: amber-developers: Problems with amber / MPI
>
> My checkout from Oct. 6 worked fine for most of the parallel
> tests ...
> with the exception of the serial jobs that were called under
> MPI (as I
> have noted in previous emails).
>
> I have NOT checked in my proposed changes to the sander Makefile to
> decouple EVB objects from executables that do not use EVB
> becasue I was
> unable to get an appropriate baseline for the failures (too many
> failures) to assure myself that I have not broken other stuff with my
> modifications.
>
> ... so I think the tree was good up to Oct. 6?
>
> -Kim
>
> Ross Walker wrote:
> >> This is for ifort 9.1.033 on emt64, and openmpi-1.1.1.
> >> That's only one data
> >> point, and Ross is apparently seeing problems too (although
> >> his email didn't
> >> give any details.)
> >>
> >
> > If I checkout the cvs tree for 1st Oct 2006 it works fine
> with my setup.
> > Ifort 9.1.039 and mpich2 v1.0.3. However, todays cvs tree
> is completely
> > broken for parallel. I am currently trying to track down
> what changed.
> >
> > All the best
> > Ross
> >
> > /\
> > \/
> > |\oss Walker
> >
> > | HPC Consultant and Staff Scientist |
> > | San Diego Supercomputer Center |
> > | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> > | http://www.rosswalker.co.uk | PGP Key available on request |
> >
> > Note: Electronic Mail is not secure, has no guarantee of
> delivery, may not
> > be read every day, and should not be used for urgent or
> sensitive issues.
> >
> >
>
>
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Received on Sun Oct 15 2006 - 06:07:02 PDT
