[molpro-user] rs2 transition state geometry optimization dies at first rs2 single point calc

Benj FitzPatrick benjfitz at uchicago.edu
Thu Apr 26 00:32:56 BST 2007


Sasha,
Thank you, it looks like that was the error.  I was using 2 processors and had
the memory set to 350MW, but evidently that wasn't enough.  
Benj

---- Original message ----
>Date: Mon, 23 Apr 2007 10:44:22 +0200
>From: Alexander Mitrushchenkov <sasha at theochem.uni-stuttgart.de>  
>Subject: Re: [molpro-user] rs2 transition state geometry optimization dies at
first rs2 single point calc  
>To: Benj FitzPatrick <benjfitz at uchicago.edu>
>Cc: molpro-user at molpro.net
>
>Hello Benj,
>
>The 'PAGE ERROR' error message is indeed misleading. We will check and fix it, 
>but most probably it actually means insufficient memory. Try to increase it, 
>and please report weather this helps.
>
>Sasha
>
>-- 
>Dr. Alexander Mitrushchenkov
>
>Universität Stuttgart
>Institut für Theoretische Chemie
>Pfaffenwaldring 55
>D-70569 Stuttgart
>
>Tel +49 (0)711 / 685-64409
>Fax +49 (0)711 / 685-64442
>Mail sasha at theochem.uni-stuttgart.de




More information about the Molpro-user mailing list