[Wien] lapw2para exited due to an ERROR

李海铭 ustclhm at gmail.com
Tue Aug 28 14:11:59 CEST 2007


Hello, wien users

    I get a problem when using the latest WIEN2k_07. The scf stop

after a few iterations (3 or more). The error file is dnlapw2.error:

**  testerror: Error in Parallel LAPW2

    My .machine file is
granularity:1
1:cu01
1:cu01
1:cu02
1:cu02
1:cu03
1:cu03
1:cu04
1:cu04
1:cu05
1:cu05
1:cu06
1:cu06
1:cu07
1:cu07
1:cu08
1:cu08
1:cu09
1:cu09
1:cu10
1:cu10
1:cu11
1:cu11
1:cu12
1:cu12
1:cu13
1:cu13
1:cu14
1:cu14
1:cu15
1:cu15
1:cu16
1:cu16
extrafine:1

    140 Kpoints during the whole calculations. So in the STDOUT, it
will list "FORTRAN STOP  LAPW2 END"

44 times. It is ture in the uplapw2, but there are only 43 "FORTRAN
STOP  LAPW2 END" for the dnlapw2. It

list at the end that:

o_ypcall: clnt_call: RPC: Timed out
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory

I doubt that 1 of the dnlapw2 meet error. Even, I meet it many times
for other examples.

    I can't fix it and need your help.

    Best wishes!

                           Haiming Li
                           2007-08-28
 				
--------------
李海铭
中国科学院高能物理研究所
同步辐射实验室
Haiming Li
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
19 Yu Quan Lu, 100049 Beijing, P.R. China
Tel: 0086+10 8823 6437  /  0086+135 8190 2824
E-mail:lihm at ihep.ac.cn


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