From: Sanjeev B.S. <>
Date: Fri 16 Mar 2001 22:03:22 +0400 (RET)

Dear Skinner,
        Thanks a lot for your help. Sorry for the delay in reply as we are
still installing the system itself. I shall let you know of the progress
we make. Special thanks for the results image and the input for number of

Wishing you a nice weekend,


> 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:
> 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.



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

Attachment Converted: "c:\eudora\attach\Machine1.sp3"

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Received on Fri Mar 16 2001 - 10:03:22 PST
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