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

From: carlos <>
Date: Mon, 27 Mar 2006 18:34:27 -0700

David A. Case wrote:
> Everything with REMD is now working for me. I had a problem with
> targetting MD, but then that went away; Mike now has a problem with a
> 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
> doesn't really get cleaned up after one test before the next test has
> 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
> job.
> ...thanks!...dave

thanks, we're doing more extensive testing now.
we are getting very poor scaling of REMD jobs (ie 2 cpus slower than 1) at
NCSA even though it's fine on our cluster and normal MD is fine
at NCSA. not sure what's different about their myrinet MPI.
Received on Wed Apr 05 2006 - 23:49:34 PDT
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