AMBER Archive (2009)

Subject: Re: AMBER: reg sander crashing on more than 32 cores over IB

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Jan 05 2009 - 06:47:01 CST

On Mon, Jan 05, 2009, Amit Bajaj wrote:
>
> when we try to submit sander on more than 32 cores, it crashes with unknown
> error

I think there is little hope that you will get real help based on such a
small amount of information. However, unless you are running GB
simulations, it is unlikely that sander will scale very well beyond 32
cores anyway. Can you use pmemd for your simulations?

...dac

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