[Wien] QTL-B VALUE

[Stefaan Cottenier]

Did you run this on an AIX system with a queuing system? In that case the
files in your scratch directory are lost once the job is finished. If you do
x lapw2 -qtl later interactively, I guess this might lead to your error.
Solution: either make your working directory the scratch directory (if you
have enough space there), or include x lapw2 -qtl in your job that is
executed by the queue, directly after the run_lapw command.

Stefaan

----- Original Message ----- 
From: <arnaud.vasseur at caramail.com>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, September 09, 2004 12:04 PM
Subject: [Wien] QTL-B VALUE


> Dear wien users,
> I am running WIEN2K under AIX system; I have performed my scf calculation
without problem and my system converges well. When I run the command x
lapw2 –qtl I get the following message:
>
> 1525-001 The READ statement on the file test.energy cannot be completed
because the end of the file was reached. The programme will stop.
>
> I check my test.energy file and I found it empty!!!!
> I am puzzled that this file is empty in spite of my calculation ended
successfully.
> Is there any suggestion?
>
>
> Thank you.
>
> A. vasseur
>
>