[Wien] how can i do with this frequently appeared problem?

白宇 baiyu1982 at ss.buaa.edu.cn
Wed Jul 5 09:34:38 CEST 2006


Dear WIEN users:
I am caculating a 2*2*2 supercell at a two-processor workstation.
My caculation crashed with following STDOUT and uplapw2.erro:
STDOUT
LAPWO END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 -FERMI;Weighs written
cp: stat'.in.tmp' failed: No such file or directory
rm:can not remove '.in.tmp':No such file or directory
rm:can not remove '.in.tmp1':No such file or directory
uplapw2.erro
** testerro:Erro in Prarllel LAPW2

I search the mailing list,and find questions and solutions about
this problem. However,I can not classify my problem with one of
them.

First,my problem seems not to be a ghostband problem.Since I 
check all the output files at present stage(case.output2,case.output1,
case.scf1,case.scf2,case.clmsum...) there are not **** errors.
they all seem to be alright,just stopped. So maybe the energy 
parameters in my case.in1 file is OK. What are your opinion?

And then, Professor Blaha had once suggested that to "grep :DIS case.scf"
see whether the scf cycle diverged because
of too large mixing.
I checked it,but it gives no output.

So what do you think I should do?thanks.

Best regards


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