AMBER: sander.MPI / parallel

From: Arturas Ziemys <arturas.ziemys.uth.tmc.edu>
Date: Mon, 16 Jun 2008 12:00:34 -0500

Please, help me to setup AMBER 9 parallel (AMBER and openMPI compiled
with g95,gcc4.3.x,redhat,xeon cpu). AMBER parallel test runs fine. Also,
I run AMBER job fine from a command prompt. But if I submit job with
'qsub', AMBER runs just with a single CPU using sandes.MPI. What is wrong ?

Arturas 

-- 
Arturas Ziemys, PhD
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
  7000 Fannin, Suit 880
  Houston, TX 77030
  Phone: (713) 500-3975
  Fax:   (713) 500-3929  
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Received on Wed Jun 18 2008 - 06:07:31 PDT
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