Subject: Re: CCL:Error in GAUSSIAN Freq Calculation

From: "Kadir Diri" <kadir-.at.-visual1.chem.pitt.edu>
Date: Tue, 9 Mar 2004 17:05:34 -0500

Hi! You may have simply exceeded the space allocated for the scratch files.
Check the size of your rwf files and your scratch disk.
kadir

----- Original Message ----- 
From: "Alexander Zeller" <zeller-.at.-intranet.anorg.chemie.tu-muenchen.de>
To: <chemistry-.at.-ccl.net>
Sent: Tuesday, March 09, 2004 12:23 PM
Subject: CCL:Error in GAUSSIAN Freq Calculation

> Dear CCLers,
>
> I have a problem running a frequency calculation for a
> large molecule (130 atoms,B3LYP/6-31g* + pseudopotential
> for the metal center) with GAUSSIAN98 A.11 on a 64-bit
> Itanium2-system (4 processors).
>
> It stops with the following error:
>
>  405 vectors were produced by pass  0.
>  AX will form 405 AO Fock derivatives at one time.
>  404 vectors were produced by pass  1.
>  402 vectors were produced by pass  2.
> Erroneous read. Read -1 instead of 2147929056.
> fd = 3
> readwa-readm
>
> The problem seems to be the rwf-File, the calculation
> stops when GAUSSIAN attempts to access the
> rwf-File. As far as I know, there should be no limit
> for the size of the rwf-file on a 64-bit system.
> Also splitting the rwf-File in several files did not help.
>
> Does anyone have an idea what's the problem ? Are there
> any limits for pseudopotential calculations ?
>
> Thanks in advance
>
> Alexander Zeller (alexander.zeller-.at.-ch.tum.de)
> Department of Inorganic Chemistry
> Technical University Munich, Germany
>
>
>
>
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