AMBER Archive (2008)

Subject: AMBER: sander.MPI / parallel

From: Arturas Ziemys (
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 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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