The limit of atom number on Blue Gene/L

From: Fred (Rui FENG) (fengruifree_at_gmail.com)
Date: Mon Jan 19 2009 - 02:09:15 CST

Hi All,

Is there anyone who tested the limit of atom number on Blue Gene/L? My
answer is 1 million (no bonds) on 512/1024/2048 nodes, no matter the
scale of partitions. For example, when I submit a job that has more
than 1 million particles (say, 1.1 million) on 512 nodes with VN mode,
the NAMD crashes. But When I submit the same job on 1024 nodes or 2048
nodes, it still crashes.

Can you give me some experience about how to run millions of particles
(no bonds) on Blue Gene/L? Is there any compile option or argument I
can set? Thank you so much!

Have a nice day!

Fred

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