[AMBER] sander.MPI is extremely slow

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Mon, 13 May 2013 10:18:15 +0530

Dear Users,

I have installed amber 12 on a high performance super computer in users
home. Serial and parallel installations were successful. But when I am
running job using sander.MPI on 32 nodes, it runs very slow, even slower
than a single core machine. Within 5 days it has completed only 200 ps
simulations of 40,000 atoms.
    I am unable to figure the problem. Please suggest me whether it is
installation problem or machine related problem.

-- 
With best regards
*******************************************************************************************************************
Kshatresh Dutta Dubey, PhD
Post Doctoral Fellow
Indian Institute of Technology Kanpur
Kanpur, India
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Received on Sun May 12 2013 - 22:00:02 PDT