[Wien] w2web

Travis Sefzik tsefzik at chemistry.ohio-state.edu
Fri Jan 28 21:40:16 CET 2005


Hello,

I was wondering if anybody else has encountered the following problem 
when using w2web.  First off, I am using a P4 Beowulf running linux, 
compiled with intel ifort 8.0, mkl 7.0, my default shell is bash, and i 
am not the administrator (thus have little privileges).

When I build my unit cell, i select a space group, put in unit cell 
parameters, and put in fractional coordinates.  When I save it does not 
produce the equivalent positions for me.  Also, when I try to use the 
interface to initialize/run calculations, it tells me that it cannot 
find the commands (specifically: " sh: line 12: x: command not found 
").

Does anybody out there have any suggestions for me?  Perhaps I need to 
specify a certain search path, change default shell, ? ? ?


Thanks,
Travis



---
Travis Sefzik
Grandinetti Group
Chemistry Department
The Ohio State University
100 W. 18th Ave.
Columbus, OH 43210

phone: (614) 292-8064
fax: (614) 292-0559
email: tsefzik at chemistry.ohio-state.edu




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