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Date: Mon, 16 Jan 2006 11:47:52 -0800
From: =?ISO-8859-1?Q?Edoardo_Apr=E0?= <edoardo.apra@pnl.gov>
Subject: Re: [NWCHEM] NWCHEM:geom_rtdb_load: not found
In-reply-to: <200601161945.k0GJj6Xw031884@twix.emsl.pnl.gov>
To: Gemma Kinsella <kinselg@tcd.ie>, NWChem Users <nwchem-users@emsl.pnl.gov>
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Gemma
could please send us
1) the content of the file $HOME/.nwchemrc
2) the output of the command
ls -l /opt/packages/nwchem-4.7/data/amber_x

Edo

Gemma Kinsella wrote:

> Dear NWChem Users,
>
> We have just installed NWChem 4.7 on an opteron cluster running Suse
> linux. When running the example files (/md/membrane etc) I receive the
> following error relating to geom_rtdb_load: not found or rtdb corrupt.
>
> Any ideas pointing me in the right direction would be greatly appreciated.
>
> Many thanks,
>
> Gemma
>
>                                   Prepare Module
>                                   --------------
>
>  Force field                           amber
>
>
>  Directories used for fragment and segment files
>
>                                        
> /opt/packages/nwchem-4.7/data/amber_s/
>                                        
> /opt/packages/nwchem-4.7/data/amber_q/
>                                        
> /opt/packages/nwchem-4.7/data/amber_x/
>                                        
> /opt/packages/nwchem-4.7/data/amber_u/
>                                        ./
>
>  Parameter files used to resolve force field parameters
>
>                                      
> /opt/packages/nwchem-4.7/data/amber_s/amber.par
>                                      
> /opt/packages/nwchem-4.7/data/amber_q/amber.par
>                                      
> /opt/packages/nwchem-4.7/data/amber_x/amber.par
>                                      
> /opt/packages/nwchem-4.7/data/amber_u/amber.par
>                                        ./amber.par
>   geom_rtdb_load: not found or rtdb corrupt: geometry -> geometry
>  geom_rtdb_load: open geometies:  1
>   1 geom_rtdb_load: "geometry" -> "geometry"
>
>  **********
>  *   0: pre_mkseq: geom_rtdb_load failed    0
>  **********
>

-- 
Edoardo Aprà - PNNL - P.O. Box 999, MS K8-91 - Richland, WA 99352
Fax +1-509-376-0420