It is possiblly two reasons in my experiences: 1) your machine can not
provide so much CPU as you rquired at that time.
<BR>2) you did not setenv MP_SET_NUMTHREADS correctly.
<BR>I compiled in different systems, there should not be any problems.
<BR>Good luck.
<BR>Jianxin
<P>Frank Yan wrote:
<BLOCKQUOTE TYPE=CITE>it's amber 5, and i used shared memory to compile
it. thanks a lot... frank
<P>>From: Carlos Simmerling <carlos.morita.chem.sunysb.edu>
<BR>>Reply-To: carlos.simmerling.sunysb.edu
<BR>>To: Frank Yan <siebenamber.hotmail.com>
<BR>>Subject: Re: parallel sander
<BR>>Date: Sat, 19 Feb 2000 09:47:29 -0500
<BR>>
<BR>>it would help if you told us what version of AMBER you are using,
<BR>>and how it was compiled (shared memory, MPI). also
<BR>>the version of the SGI Message Passng Toolkit (MPT).
<BR>>thanks
<BR>>
<BR>>Frank Yan wrote:
<BR>>
<BR>> > i'm running sander on a shared memory sgi 6.5 machine. for instance
i
<BR>>use 2
<BR>> > cpus, but sometime sander cannot use both of them, only one is
99% used
<BR>>and
<BR>> > another is not used at all when using top to look at. for like
4 cpus,
<BR>> > sometime it shows like each is 25% used (at that time the machine
is not
<BR>> > loaded heavily). is there any way to solve the imbalance problem
between
<BR>>the
<BR>> > cpus? thanks a lot... frank
<BR>> >
<BR>> > ______________________________________________________
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<BR>>--
<BR>>===================================================================
<BR>>Carlos L. Simmerling, Ph.D.
<BR>>Assistant Professor
Phone: (631) 632-1336 NOTE NEW AREA CODE
<BR>>Department of Chemistry Fax:
(631) 632-7960
<BR>>SUNY at Stony Brook
Web: <A HREF="http://morita.chem.sunysb.edu/carlos">http://morita.chem.sunysb.edu/carlos</A>
<BR>>Stony Brook, NY 11794-3400 E-mail: csimmerling.sbchem.sunysb.edu
<BR>>===================================================================
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</x-html>From ???.??? Tue Feb 22 11:18:11 2000
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Date: Mon, 21 Feb 2000 15:52:34 +0530 (IST)
From: "Dr.Rajendra R. Joshi" <rajendra.cdac.ernet.in>
X-Sender: rajendra.mailhub
To: amber.cgl.ucsf.edu
Subject: MPI GIBBS
Message-ID: <Pine.SOL.3.96.1000221154947.20080B-100000.mailhub>
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Hi,
I was trying to compile GIBBS in parallel with MPI. It gave
message that MPI GIBBS is disabled.
Is it not bug free as yet?
Thanks in advance
Joshi
Received on Sat Feb 19 2000 - 11:58:57 PST
