[Wien] lapw2 "help031" missing error

[Zhu, Jianxin]

Hi David, 

This kind of things happen to me when I do "tar -zcf" to archive/zip the
working directory and move across different machines.
It does not occur if I simply do "cp -r" or "scp -r" with the
unzipped/unarchived working directory.

When the file 031 or 032 appears, I simply remove it and re-run the SCF.
The analysis then works fine.

Cheers, 

Jianxin

--
#################################
Jian-Xin Zhu, Ph.D
Theoretical Division, MS B262
Los Alamos National Laboratory
Los Alamos, New Mexico 87545
Phone: (505) 667 2363 (T-4);
(505) 667 6602 (CINT)
Fax: (505) 665 4063
Email (main): jxzhu at lanl.gov
Email (backup): physjxzhu at gmail.com
URL: http://theory.lanl.gov
#################################



On 4/11/14 8:30 AM, "Parker, David S." <parkerds at ornl.gov> wrote:

>Has anyone encountered (and perhaps fixed) an error in lapw2? I am
>running a spin polarized calculation, spin-orbit included, for Fe5Ce.
>The scf run worked fine and I get converged results.   However, when I
>then go to run a single cycle (to get orbital moments), I get the
>following error. It seems to be related to a naming convention format
>error in the setup for the "help031", "help032", etc. files as it is
>looking for files "031", "032", etc. which are empty.  I have experienced
>this error numerous times in different situations, even in non-spin
>polarized calculations for semiconductors; it doesn't seem to be related
>to the ­dm flag as it gives the same behavior when I don't use this flag.
>Any help one can provide is most appreciated.  Thanks, David Parker
>
>
>dp3 at node021:Fe5Ce$ runsp_lapw -so -p -dm -NI -i 1
> LAPW0 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
>LAPWSO END
>LAPWSO END
>LAPWSO END
>LAPWSO END
>forrtl: severe (24): end-of-file during read, unit 1001, file
>/var/scratch/dp3/Fe5Ce/031
>Image              PC                Routine            Line        Source
>lapw2c             00000000005461DD  Unknown               Unknown
>Unknown
>lapw2c             0000000000544CE5  Unknown               Unknown
>Unknown
>lapw2c             00000000004E3E29  Unknown               Unknown
>Unknown
>lapw2c             000000000049B498  Unknown               Unknown
>Unknown
>lapw2c             000000000049ACA8  Unknown               Unknown
>Unknown
>lapw2c             00000000004BBFE2  Unknown               Unknown
>Unknown
>lapw2c             0000000000478EBA  outp_                     180  outp.f
>lapw2c             0000000000464DBE  l2main_                  2125
>l2main_tmp_.F
>lapw2c             0000000000473C91  MAIN__                    605
>lapw2_tmp_.F
>lapw2c             000000000040411C  Unknown               Unknown
>Unknown
>libc.so.6          00002AF338768B54  Unknown               Unknown
>Unknown
>lapw2c             0000000000404019  Unknown               Unknown
>Unknown
>
>>   stop error
>
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