[Wien] about write_in1_lapw

[Laurence Marks]

Having worked with developing some general code (not DFT) in the past,
I would be very dubious about the claim that the GNU version uses
"enhanced features" that are not in the "standard" form. The reality
is that vendors often have obsolete and/or customized versions since
there is no committee that decides what is standard. In many respects
(if not all) GNU is the standard. An example of this is icc where
Intel has been forced in their more recent version to conform more
closely to the GNU standard at least in terms of what code is
accepted.

I suggest that you install bc from a local GNU source and put it early
in your search path. Customizing code so it works on all possible
vendor supplied modifications of unix is almost impossible, and a
waste of time since they will change their modifications!

On 11/9/06, Björn Hülsen <huelsen at fhi-berlin.mpg.de> wrote:
> Dear Wien2k developers,
>
> a few days ago I encountered some problems with large differences of the
> hyper fine field for the same input files on different platforms. (
> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2006-November/008228.html )
> The reason for the strange behavior could be tracked down to a different
> functionality of the program "bc" that is used in the write_in1 script.
> According to the support team of the Rechenzentrum Garching the current
> version of the script relies on enhanced features of "bc" that are only
> available in the GNU version but that are not compliant with the
> standard "bc" on the AIX system (and Solaris, IRIX, maybe others).


-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu