128 MB I believe. I just ported pmemd to the t3e there a couple of weeks
ago. I couldn't get sander 7 to run a small (20K atom) problem, but I did
not try incredibly hard - probably can be done by turning off the "dynamic"
sizing and carefully picking sizes. On the other hand, pmemd should be
available there pretty soon, and will run at least a 142K atom problem with
no trouble at all, if it happens to support the sander functionality you
need.
Regards - Bob Duke
----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber.scripps.edu>
Sent: Tuesday, August 26, 2003 9:32 PM
Subject: Re: AMBER: mpprun: exec of '/usr/local/bin/sander7.0' failed: Not
enough space
> On Tue, Aug 26, 2003, zhaoxc.puccini.che.pitt.edu wrote:
> >
> > I got this when I run a test run using sander7 on the CrayT3E at PSC
using
> > 16 processors:
> >
> > mpprun: exec of '/usr/local/bin/sander7.0' failed: Not enough space
>
> This is referring to physical memory, not disk space. You can use the
"size"
> command to see how much static memory is being used. You will probably
need
> to edit the sizes.h file to use less memory -- T3E's are very tight on
> memory, and there is a limit (someone else on the list probably knows
about
> what this is) for how big a system can be handled there.
>
> ..good luck...dac
>
> --
>
> ==================================================================
> David A. Case | e-mail: case.scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
> 10550 N. Torrey Pines Rd. | home page:
> La Jolla CA 92037 USA | http://www.scripps.edu/case
> ==================================================================
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Received on Wed Aug 27 2003 - 02:53:01 PDT
