[Wien] mini error remain unsolved

[Laurence Marks]

There seems to be a growing trend on this list to blame everything on
compilation/libraries. Most problems (94%) are due to inappropriate
user files or other user errors, sometimes (3%) there are
inconsistencies/ambiguities in the user guide, sometimes there are
bugs (1%) and sometimes compiler problems (1%).

Compile with -traceback, this will give information about the error.
Check that the relevant files (case.inM) exist and contain reasonable
numbers. Check that the output of case.scf is reasonable. Look at the
outputfile for mini, case.outputM. Read the UG. When reporting an
issue provide enough information for your mother (father) to
understand what you are talking about.

On Dec 4, 2007 6:21 PM,  <jadhikari at clarku.edu> wrote:
> Dear WIEN2k users,
>
> Part of the dayfile-
> __________________________________________________________________________
>     cycle 4     (Fri Nov 30 12:09:20 EST 2007)  (37/17 to go)
>
> >   lapw0       (12:09:20) 78.033u 0.500s 1:18.54 99.9% 0+0k 0+0io 0pf+0w
> :FORCE convergence: 1 1. 0 XCO 0 XCO 0 XCO 0 XCO 0 XCO 0 XCO 0 XCO 0 XCO
> >   lapw1       (12:10:40) 109.040u 2.109s 1:51.16 99.9%        0+0k 0+0io
> 0pf+0w
> >   lapw2       (12:12:31) 57.135u 0.448s 0:57.59 99.9% 0+0k 0+0io 0pf+0w
> >   lcore       (12:13:29) 0.218u 0.004s 0:00.22 95.4%  0+0k 0+0io 0pf+0w
> >   mixer       (12:13:29) 2.198u 0.099s 0:02.30 99.1%  0+0k 0+0io 0pf+0w
> :ENERGY convergence:  0 0 .0000110000000000
> :CHARGE convergence:  0 0.0000 .0000112
> ec cc and fc_conv 1 1 1
>
> >   stop
> >   mini        (12:13:31) Segmentation fault
> 0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
> error: command   /usr/opt/WIEN2k_7/mini mini.def   failed
>
> >   stop error
> _________________________________________________________________________
>
> I had posted this error before and got responses suggesting to check the
> compile messages of mini in SRC_mini directory and also to find about the
> segmentation fault. The subprogram mini is installed properly with no
> error messages. Regarding segfault I went through the mailing list but
> found no useful solution. I wonder if it has to do with the libraries or
> is related to linking. WIEN2k_07.2 (release 20/2/2007) is the version.
>
> Any help would be appreciated.
>
> Thanking you.
> Subin Adhikari
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



-- 
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
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED