[Wien] Problem with mixer

[Björn Hülsen]

Dear Wien2k developers,

I updated to Wien2k 7.3 a few weeks ago and it works just fine.

But twice I encountered a problem with the mixer which aborted the SCF cycle with the following error message:

forrtl: severe (24): end-of-file during read, unit 32, file /scr/thlc999/huelsen/cms/37_afm_tet/37_afm_tet.broyd2001

The requested file and some other *broyd* were empty:

  > ll *broyd*
-rw-r--r--    1 huelsen  th             24 Oct 20 02:17 37_afm_tet.broyd1
-rw-r--r--    1 huelsen  th              0 Oct 19 23:04 37_afm_tet.broyd2
-rw-r--r--    1 huelsen  th              0 Oct 20 01:43 37_afm_tet.broyd2001
-rw-r--r--    1 huelsen  th              0 Oct 20 01:55 37_afm_tet.broyd2002
-rw-r--r--    1 huelsen  th              0 Oct 20 02:06 37_afm_tet.broyd2003
-rw-r--r--    1 huelsen  th              0 Oct 20 02:17 37_afm_tet.broyd2004
-rw-r--r--    1 huelsen  th           3.5M Oct 19 23:50 37_afm_tet.broyd2005
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:01 37_afm_tet.broyd2006
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:13 37_afm_tet.broyd2007
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:24 37_afm_tet.broyd2008
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:35 37_afm_tet.broyd2009
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:47 37_afm_tet.broyd2010
-rw-r--r--    1 huelsen  th           3.5M Oct 20 00:58 37_afm_tet.broyd2011
-rw-r--r--    1 huelsen  th           3.5M Oct 20 01:10 37_afm_tet.broyd2012
-rw-r--r--    1 huelsen  th           3.5M Oct 20 01:21 37_afm_tet.broyd2013
-rw-r--r--    1 huelsen  th           3.5M Oct 20 01:32 37_afm_tet.broyd2014
-rw-r--r--    1 huelsen  th           3.5M Oct 20 01:43 37_afm_tet.broyd2015
-rw-r--r--    1 huelsen  th           3.5M Oct 20 01:55 37_afm_tet.broyd2016
-rw-r--r--    1 huelsen  th           3.5M Oct 20 02:06 37_afm_tet.broyd2017
-rw-r--r--    1 huelsen  th           3.5M Oct 20 02:17 37_afm_tet.broyd2018
-rw-r--r--    1 huelsen  th           3.5M Oct 19 22:42 37_afm_tet.broyd2019
-rw-r--r--    1 huelsen  th           3.5M Oct 19 22:53 37_afm_tet.broyd2020

The first time this error occurred we had some troubles with the filesystem. So I ignored it and restarted the calculation that afterwards converged successfully.
But the second time the error occurred during another calculation on a different compute cluster that runs fine. Other calculations run smoothly on it.
So this might be a problem stemming from Wien2k. In both cases I used the default settings in case.inm.
Do you have any idea what might cause this problem?

Best regards
Bjoern

-- 
Björn Hülsen
Fritz-Haber-Institute
Theory Department
Faradayweg 4-6
14195 Berlin

phone:  +49 30 8413-4863
email:  huelsen at fhi-berlin.mpg.de
www:    www.fhi-berlin.mpg.de