Parallelization on SGI for AMBER5

From: Sanjeev B.S. <sanjeev_at_mbu.iisc.ernet.in>
Date: Sat 25 Nov 2000 00:29:22 +0400 (RET)

Hello,
        Can anyone let me know what is the specific step to parallize
sander on SGI powerchallenge (6 processors)? I compiled it and but
strangely it runs on 1 processor only. The OS is IRIX6.4
Thanking in advance,
-Sanjeev

From rajaamber6_at_rediffmail.com 25 Nov 2000 17:00:11 -0000
Message-id: <20001125170011.2957.qmail.mailweb16.rediffmail.com>
Date: 25 Nov 2000 17:00:11 -0000
From: Raja Swaminathan <rajaamber6_at_rediffmail.com>
To: AMBER list <amber.heimdal.compchem.ucsf.edu>
Subject: doubt in constant pressure simulations
In-Reply-to: <3A1E3BDA.82A9B54A.nibsc.ac.uk>

Hi amber users

I am facing problem like this in constant pressure simulations.

If ntp=2 is given i get the error message as Non-isotropic scaling is currently not supported.

Hence i have used ntp=1 (md with isotropic position scaling)

Is it ok I am using sander6 manual


Thanks
raja


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Received on Fri Nov 24 2000 - 12:29:22 PST
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