[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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