On Wed, Jun 30, 2010, Steve Seibold wrote:
>
> I did comment out the job line that locked up and the subsequent AMBER11
> parallel tests finished without any problems. My compiler is gcc version
> 4.4.0 and my OS is Red Hat Enterprise Linux Client release 5. I used the
> freeware "openmpi-1.4.1" as my MPI.
>
> > I have never compiled AMBER ( a real newbie at this) before and I am
> > probably being too concerned, but I have done a parallel compilation
> > with AMBER11 and started running the test jobs. It has passed all jobs
> > so far, but has been running one job (at cd
> > PIMD/full_cmd_water/equilib && ./Run.full_cmd) Testing Centroid MD for
> > about two hours now. I am assuming this is a large system with explicit waters.
I can't confirm the problem. I have a machine with what is nominally the
same compilers (4.4.0 from RedHat) and the same version of MPI, and the
test above completes in a few seconds. You might try it again, just to see
if some hardware problem might have happened. It's odd that other jobs
seem to pass.
In any event, you can certainly ignore this unless/until you run path-integral
dynamics. I'm not quite sure how else to debug this.
....regards....dac
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Received on Thu Jul 01 2010 - 08:00:04 PDT
