AMBER Archive (2004)

Subject: Re: AMBER: EWALD BOMB?

From: Martina Roeselova (mroeselo_at_uci.edu)
Date: Mon Mar 22 2004 - 13:42:01 CST

Hi Ryan,

have you ever received any answers to your Ewald bomb question? If so,
I'd be interested, because a while ago I had a similar problem and was
not able to fix it.
Martina

Ryan Ye wrote:
> Hi all,
>
> I got the following error when running dynamics:
> ------------------------------------------------------
> * NB pairs 296 5399790 exceeds capacity
> ( 5400000) 0
> SIZE OF NONBOND LIST = 5400000
> EWALD BOMB in subroutine ewald_list
> Non bond list overflow!
> check MAXPR in sizes.h
> ------------------------------------------------------
> What does this mean and how can I fix it?
>
> Thanks a lot!

.....................................................................
Dr. Martina Roeselova Tel: +1-949-824-9921
Department of Chemistry Fax: +1-949-824-9920
University of California
Irvine, CA 92697-2025 USA office: 3218, Natural Sciences I
.....................................................................

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