AMBER Archive (2008)

Subject: Re: AMBER: Amber9 with MPICH2 failure at runtime

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 16 2008 - 19:26:05 CDT

On Wed, Apr 16, 2008, Sasha Buzko wrote:
>
> Speaking of pmemd, I did compile it and tried to run it on the same
> example from the tutorial. For some reason, I only get one pmemd process
> on one node and it just hangs there using up 100% of the cpu/core but
> not writing any output.

Did your pmemd pass the test suite? That would help narrow down the problem.

There doesn't need to be much pmemd documentation, since it should be a
drop-in replacement for sander (for the subset of sander tasks it can handle.)

...dac

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