[Wien] Error in Parallel LAPWSO (hao)

=?iso-2022-jp?B?GyRCMiZaXxsoQg==?= hao at qs.t.u-tokyo.ac.jp
Thu Dec 1 03:31:30 CET 2005


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

 

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