[xcrysden] Error with xcrysden for crystal03

Oscar Ojeda Oscar.Ojeda at chemail.tamu.edu
Wed Sep 19 17:16:17 CEST 2007


Tone Kokalj wrote:
> On Thu, 2007-09-13 at 16:57 -0500, Oscar U. Ojeda wrote:
>   
>> Hi
>> Im trying to run xcrysde as gui for crystal03. When I try to visualize a structure either generated by xcrysden or a previously created input file, i get the following message:
>> ERROR while executing
>> exec
>> /(PATH)/xcrysden/XCrySDen-1.4.1bin-static/bin/gengeom 0 11 1 1 1 1 
>> /(PATH)/xcrys_tmp/xc_6099/xc_gengeom.6099
>>
>> The ERROR INFO is as follows:
>>
>> invalid integer: read unexpected character
>> apparent state: unit 34 named fort.34
>> last format: list io
>> lately reading sequential formatted external IO
>>     
>
> To check what is going on, please send me the input and fort.34 files.
> You will find the latter in the XCRYSDEN_SCRATCH/xc_???? directory; 
> copy it before exiting, because the directory will be deleted on exit.
>
> Regards, Tone
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
>
>   
Hi Tone
Thanks in advance for the help
Oscar

-------------- next part --------------
A non-text attachment was scrubbed...
Name: error.out.tar.gz
Type: application/x-gzip
Size: 2411 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/xcrysden/attachments/20070919/c3f796ef/attachment.bin 


More information about the XCrySDen mailing list