[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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