Re: amber-developers: GB/LES GB1 diffcoords FP exception on Sun

From: David A. Case <case.scripps.edu>
Date: Mon, 27 Mar 2006 17:42:16 -0700

On Mon, Mar 27, 2006, carlos wrote:

> that looks fine to me.

OK..I'll check it in.

> is the REMD code still failing or only the hybrid one?

Everything with REMD is now working for me. I had a problem with parallel
targetting MD, but then that went away; Mike now has a problem with a
QM/MM
test case, but I can't reproduce it.,,, etc.

I think we are seeing intermittent MPI failures; maybe this occurs when
running lots of short test cases -- cold it be that somehow the MPI daemon
doesn't really get cleaned up after one test before the next test has
begun?
Have you ever seen any behavior like this?

Anyway, at least lots of people are testing things. What you might do
is try the latest (CVS) code on something other than a test case -- some
job like you are running for real production....especially a replica
exchange
job.

...thanks!...dave
Received on Wed Apr 05 2006 - 23:49:34 PDT
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