AMBER Archive (2008)

Subject: Re: AMBER: NAB to calcuate entropy. .

From: David A. Case (case_at_scripps.edu)
Date: Thu Feb 21 2008 - 11:10:16 CST

On Wed, Feb 20, 2008, Wang, Xuelin wrote:
>
> "allocation failure in vector: nh = -4617656057229413269"

You should get something like

  allocation failure in vector: nh = 297459009

(on a machine with not enough memory).

Somehow it looks like you are overflowing the limits of a "size_t" variable,
but I don't quite see how that could happen.

What architecture (/bin/uname -a) and comiler are you using? It sounds like
you may have to delve into the code to do some debugging, since I can't
reproduce the problem here (even on an ia32 architecture).

....dac

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