[Wien] Error in Parallel LAPWSO (hao)

[Peter Blaha]

You need to be systematic and check out things.
It is already "strange that you have 6 LAPW1 END messages, but specified
4 hosts ???!!!

Try running in sequential mode (not in parallel) on either reed and rs01.
Do both machines work ?

Try running in parallel, but without SO. Does it work ?

What is in the *error-files ?

> Dear users:
> 
>    Recently I am focusing on the optic calculation. I followed the userguide
> and did:
> 
> 1 initiation with sp
> 
> 2 initso
> 
> 3 runsp_lapw -so -i 40 -p 
> 
> But stopped automatically with 
> 
> LAPW0 END
> 
> LAPW1 END
> 
> LAPW1 END
> 
> LAPW1 END
> 
> LAPW1 END
> 
> LAPW1 END
> 
> LAPW1 END
> 
>  
> 
> Lapwso.error:
> 
> **  Error in Parallel LAPWSO
> 
> **  Error in Parallel LAPWSO
> 
>  
> 
> Case.inso:
> 
> 4  1  0                      llmax,ipr,kpot
> 
>  -10.0000   1.50000           emin,emax (output energy window)
> 
>    0.  0.  1.                 direction of magnetization (lattice vectors)
> 
>  0                           number of atoms for which RLO is added
> 
>  0 0 0 0 0                    number of atoms for which SO is switch off;
> atoms
> 
>  
> 
> i use NFS, the $SCRATCH is ./, 
> 
> .machines:
> 
> 1:reed
> 
> 1:reed
> 
> 1:rs01
> 
> 1:rs01
> 
> granularity:1
> 
>  
> 
> but I checked with $path that in two machines the path is different.
> 
> Reed:
> 
> /home/wanghao/wien2k:/usr/kerberos/bin:/usr/share/lsf/6.1/linux2.4-glibc2.2-
> ia64/bin:/usr/share/lsf/6.1/linux2.4-glibc2.2-ia64/etc:/usr/local/mpich-inte
> l81/bin:/opt/intel_cc_80/bin:/opt/intel_fc_80/bin:/usr/local/bin:/bin:/usr/b
> in:/usr/X11R6/bin:/usr/local/WIEN2k_04.11
> 
> Rs01:
> 
> /home/wanghao/wien2k /usr/kerberos/bin
> /usr/share/lsf/6.1/linux2.4-glibc2.2-ia64/bin
> /usr/share/lsf/6.1/linux2.4-glibc2.2-ia64/etc /usr/local/mpich-intel81/bin
> /usr/local/bin /bin /usr/bin /usr/X11R6/bin /usr/local/WIEN2k_04.11
> 
>  
> 
> What is trouble with my calcualtion. Could you give me some advice. Thank
> you. 
> 
> hao
> 
>  
> 
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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