[xcrysden] error: reading file/tmp/xc_struc.3200

[Gavin Abo]

Can you send the XCrySDen input file(s) and steps for reproducing the error?

What XCrySDen version is giving you that error?

Is the account you are logged into have file permissions to write and 
read to the /tmp directory?  If you don't have file permission to write 
to /tmp, maybe try changing XCRYSDEN_SCRATCH variable in your .bashrc 
from "/tmp" to your home directory "/home/username/xcrys_tmp" (where 
username is replaced by your user name).

If the program worked before but it just started happening recently, 
maybe try using xc_cleanscratch.  As it says on the XCrySDen website: 
"From time to time clean the scratch directory" [ 
http://web.mit.edu/xcrysden_v1.5.60/www/XCRYSDEN/doc/install.html ].

Are you using English (en_US.UTF-8) as the locale [ 
https://docs.fedoraproject.org/en-US/Fedora/24/html/System_Administrators_Guide/ch-System_Locale_and_Keyboard_Configuration.html 
]?  It might be that XCrySDen fails to work right for some scripts if 
non-English locale is used on computer.

Are you using "xcrysden --pwi pw.in"?

If so, instead of for example:

~/xcrysden-1.5.60-bin-semishared/xcrysden --pwi pw.in

What happens if you do it in two different steps instead using 
pwi2xsf.sh and the xcrysden --xsf option:

~/xcrysden-1.5.60-bin-semishared/scripts/pwi2xsf.sh pw.in
~/xcrysden-1.5.60-bin-semishared/xcrysden --xsf pwi2xsf.xsf_out

It doesn't seem to cause me any problems, but maybe it causes problems 
for others.  In the pwi2xsf.sh file of XCrySDen 1.5.60, you might also 
try opening this file in a text editor (like gedit) and remove the "\00" 
seen on line 205 to see if that causes the error to disappear or not.

On 8/5/2018 10:02 AM, Sarah Gamal wrote:
> Dear all;
> I got this error "error: reading file/tmp/xc_struc.3200", and in the 
> details:-
> can't read "sInfo(ldatagrid2D)": no such variable
>
> Any help please?