AMBER Archive (2008)

Subject: AMBER: sander.MPI / parallel

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Mon Jun 16 2008 - 12:00:34 CDT

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  

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu