Re: [AMBER] AMBER 11: Line minimizer aborted: step at lower bound

From: Amor San Juan <amorsanjuan.yahoo.com>
Date: Sun, 26 Sep 2010 19:25:59 -0700 (PDT)

Dear Prof CAse,

Thanks so much for the explanation about the error.

Amor

--- On Fri, 24/9/10, case <case.biomaps.rutgers.edu> wrote:

From: case <case.biomaps.rutgers.edu>
Subject: Re: [AMBER] AMBER 11: Line minimizer aborted: step at lower bound
To: "AMBER Mailing List" <amber.ambermd.org>
Date: Friday, 24 September, 2010, 8:15 PM

On Thu, Sep 23, 2010, Amor San Juan wrote:

> nmode program found! Using /usr/local/amber11/bin/mmpbsa_py_nabnmode

...
> allocation failure in vector: nh = 33506892

This means that the attempt to allocate memory for the nmode program failed.
It's a little odd, since it is only asking for 33 million words, or 250
MBytes, which is not an enormous amount these days.  But for some reason, your
system is saying that it cannot accommodate the request.

....dac


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Received on Sun Sep 26 2010 - 19:30:04 PDT
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