yes, you can do this, use a very long nstlim and it will never
do the exchange. there is a better way to do this - check
the multisander sections of the amber manual.
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling.stonybrook.edu
===================================================================
qlu.notes.cc.sunysb.edu wrote:
> Hi AMBER
>
> My situation is I can only run a parallel job with more than 8
> nodes(Itanium 2 with 2 cpu in one box). The scale for more than 2 cpu
> is bad. Each job need to wait for one to two days to start. Bundle
> jobs together is not allowed.
>
> Is it possilbe to run, for example, 512 nodes jobs with REM without
> exchange(NUMEXCHG=0), i.e. 256 seperate normal sander jobs in a big
> REM job, each sander job has 2 nodes.
>
> Qiang Lu
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Received on Thu Feb 10 2005 - 00:53:00 PST
