[Wien] Equivalent Positions

[Travis Sefzik]

When I am using StructGen, I properly enter a space group, all unit 
cell parameters, and all fractional coordinates.  After clicking on 
Save Structure, StructGen fails to provide the equivalent positions.  
This problem only occurs when I am running StuctGen from our campus 
supercomputer ( I have tested locally and it works fine ).  Has anybody 
ran into this problem?

The cluster in question is using a Linux OS and uses P4 processors.

I am assuming that I need to include an environmental variable 
somewhere (other than those already included in my .bashrc and .cshrc 
files).

When compiling (with the Portland Group software), I do get the 
following errors:

SRC_balsac-utils/compile.msg:make: [clean] Error 1 (ignored)
SRC_elast/compile.msg:make: [clean] Error 1 (ignored)
SRC_eosfit/compile.msg:make: [clean] Error 1 (ignored)
SRC_fsgen/compile.msg:make: [clean] Error 1 (ignored)
SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 2
SRC_lapw0/compile.msg:make: *** [para] Error 2
SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 2
SRC_lapw1/compile.msg:make: *** [rp] Error 2
SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 2
SRC_lapw1/compile.msg:make: *** [cp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 2
SRC_lapw2/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 2
SRC_lapw2/compile.msg:make: *** [cp] Error 2
SRC_optimize/compile.msg:make: [clean] Error 1 (ignored)
SRC_phonon/compile.msg:make: [clean] Error 1 (ignored)
SRC_trig/compile.msg:make: [clean] Error 1 (ignored)

I am not worried about the clean errors, but am concerned with the 
"Error 2" errors since I do not get these when compiling elsewhere.




Thank you,
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