[Wien] lapw1 failed

[Laurence Marks]

Almost certainly it is what it implies -- there is not enough memory
for the calculation to run. Did you run with a small RKMAX, e.g. 2.5?
(Check the FAQ).

N.B., you may need to use .lcore or increase the RMT of the C
otherwise you lose some of the C 1s core electrons.

2011/4/28  <yangding at aps.anl.gov>:
> Dear WIEN users,
>
> I am using WIEN10.1 to calculate the CO(C5H5)2 (structure file is attached). However, I always got error message during lapw1 process. There is no detailed error information in the lapw1.error file except for "Error in LAPW1". The Dayfile and STDOUT messages are listed as following. I will appreciate if you could provide any clue on this problem.
>
> regards,
> Yang Ding
>
> ----------------------------------------------------------------------
> System:
> Hardware: HP Z800 workstation (Intel XEON)
> OS: Fedora 11:0
> RAM: 24 GB
> Virtual memory: 32 GB
>
> Dimension parameters:
> NMATMAX = 150000
> NUME = 50000
>
> ----------------------------------------------------------------------
> Dayfile:
>
>
>    start       (Thu Apr 28 18:54:43 CDT 2011) with lapw0 (1/99 to go)
>
>    cycle 1     (Thu Apr 28 18:54:43 CDT 2011)  (1/99 to go)
>
>>   lapw0       (18:54:43) 83.169u 1.176s 1:24.67 99.5% 0+0k 64496+52288io 88pf+0w
>>   lapw1       (18:56:07) 32.515u 0.242s 0:32.81 99.8% 0+0k 104+17936io 0pf+0w
> error: command   /home/yang/WIEN/lapw1 lapw1.def   failed
>
>>   stop error
>
> ------------------------------------------------------------------
> STDOUT
>
> APW0 END
> forrtl: severe (41): insufficient virtual memory
> Image              PC                Routine            Line        Source
> lapw1              000000000051868D  Unknown               Unknown  Unknown
> lapw1              0000000000517195  Unknown               Unknown  Unknown
> lapw1              00000000004B8130  Unknown               Unknown  Unknown
> lapw1              000000000047192A  Unknown               Unknown  Unknown
> lapw1              000000000049C395  Unknown               Unknown  Unknown
> lapw1              000000000044E0FB  Unknown               Unknown  Unknown
> lapw1              0000000000412286  Unknown               Unknown  Unknown
> lapw1              000000000040DF5D  Unknown               Unknown  Unknown
> lapw1              000000000043436C  Unknown               Unknown  Unknown
> lapw1              0000000000404ABC  Unknown               Unknown  Unknown
> libc.so.6          0000003462C1EA4D  Unknown               Unknown  Unknown
> lapw1              00000000004049B9  Unknown               Unknown  Unknown
>
>>   stop error
>
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>



-- 
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
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi