[Wien] Error lat==ORTHOROMBIC in det_pgrp()

[B. Yanchitsky]

Dear Manish,

Upgrade your icc to 9.1, 32 bits 9.0 is buggy.

Regards,
Bogdan

Manish Singh wrote:
> Dear Wien2k users,
> 
> I get the following error when I try to run x sgroup during
> initialization of sillimanite:
> 
> Error lat==ORTHOROMBIC in det_pgrp()
> Error lat==ORTHOROMBIC in det_pgrp()
> diff: sillimanite.outputsgroup: No such file or directory
> diff: sillimanite.outputsgroup1: No such file or directory
> Error lat==ORTHOROMBIC in det_pgrp()
> 0.000u 0.010s 0:00.01 100.0%    0+0k 0+0io 440pf+0w
> error: command   sgroup -wi sillimanite.struct -wo
> sillimanite.struct_sgroup -set-TOL=0.00001   failed
> 
> The struct file is attached. Could anyone tell me what am I doing wrong?
> The Wien2k verison is WIEN2k_06.3 (Release 10/5/2006).
> 
> The initialization works in older versions though!
> 
> Regards,
> Manish
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien