AMBER Archive (2001)

Subject: Re: AMBER6 on IBMSP3

From: David Skinner (dskinner_at_nersc.gov)
Date: Tue Mar 13 2001 - 10:18:19 CST

> Hello,
> Can AMBER6 be compiled on IBMSP3 (SHARED MEMORY)? If so, can any
> one kindly let me know what is the machine file (if necessary other
> instructions) to compile on SP3.
>
> (The machine specifications are as follows:
> IBMSP3
> RS6000
> 365 MHz
> 16 processor
> 8 GB Memory)

 Hi Sanjeev,

 Attached is my Machine file for NERSC's SP3 and some performance results.
I would be interested if you find differing results. I have been somewhat
disappointed with the scaling of AMBER's parallel performance though I am
eager to find some way to improve this. Essentially there seems to be no
benefit in running in more than 12-20 processes.

 Regards,

 David

-----------------------------------------------------
Dr. David Skinner User Services Group
dskinner_at_nersc.gov NERSC Division, Berkeley Lab

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