AMBER Archive (2008)

Subject: Re: AMBER: massively parallel computation

From: Atro Tossavainen (
Date: Wed May 21 2008 - 02:17:10 CDT

> A quick comment.. We observe increased performance on up to 1024 cores
> on our cray xt4 for a system of ~600.000 atoms using pmemd.

Can you please post your configuration files for PMEMD for the XT4?
There's one at the CSC and Finnish researchers might like to benefit
from this possibility too :-)

Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
+358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
< URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
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