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AMBER Archive (2004)Subject: AMBER: PMEMD and myrinet trouble
From: Chris Moth (Chris.Moth_at_vanderbilt.edu)
At 03:56 PM 3/24/2004, Robert Duke wrote:
Robert:
Thanks for all your round-the-clock help and suggestions with our
I hope our notes below might save time for other groups in future.
As you know, we initially suspected that our bad minimization and MD
That said, PMEMD always has run well on all our other platforms.
It turns out that there was a myrinet software problem on our end.
Installing the latest mpich software from
We've also learned the importance of regression testing with PMEMD in
Small incompatibilities with platform upgrades can cause major trajectory
Again, thanks for all our help double-checking things on your hardware.
Sincerely
Chris Moth
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