[Wien] lapw1 failed

[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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CoCP2.struct
Type: application/octet-stream
Size: 5640 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110428/baa808ee/attachment.dll>