AMBER Archive (2003)

Subject: Re: memory problem

From: David A. Case (case_at_scripps.edu)
Date: Thu Jul 10 2003 - 22:03:14 CDT


On Wed, Jul 09, 2003, zhaoxc_at_puccini.che.pitt.edu wrote:
>
>
> Real Memory requirement of: 1164581 exceeds MAXREA of 900000
>
> Static Integer Memory requirement of: 849480 exceeds MAXINT of
> 500000
>
> | Memory Use Allocated Used
> | Real 900000 1164581
> | Hollerith 400000 95317
> | Integer 500000 849480
>
> | Max Nonbonded Pairs: 5400000
> ** Redimension and recompile

You need to edit sizes.h in the sander directory, to make the real memory
at least 1,170,000, and recompile the program.

..good luck...dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================