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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