Re: [AMBER] Nmode analysis calculation problem for Implicit simulation.

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 28 Apr 2015 08:09:51 -0400

On Tue, Apr 28, 2015, Bajarang Kumbhar wrote:
>
> > allocation failure in vector: nh = 1632725649

This means that your machine doesn't have enough memory to carry out the
normal mode calculation: the request is for 1.6 billion double precision
words, or about 13 Gbytes of memory. The standard normal mode approach only
works for fairly small systems.

There are some alternatives that may work for big systems (with discussion on
the mailing list just recently). But you have to understand in detail what
you are doing.

...dac


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Received on Tue Apr 28 2015 - 05:30:02 PDT
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