[Wien] optimization(error)
Udai Pratap Verma
upv at airtelbroadband.in
Wed Jan 30 15:21:05 CET 2008
Dear sir,
when I run ./optimize.job for spin polarized case
with option in it
CrAspin_vol_-15.0 \
CrAspin_vol_-10.0 \
CrAspin_vol__-5.0 \
CrAspin_vol___0.0 \
CrAspin_vol___5.0 \
CrAspin_vol__10.0 \
)
rm CrAspin.struct # NFS-bug
cp $i.struct CrAspin.struct
# Please uncomment and adapt any of the lines below according to your
needs
# cp $i.clmsum CrAspin.clmsum
# x dstart
x dstart -dn -c
x dstart -up -c
runsp_lapw -ec 0.0001
# min -I -j "run_lapw -I -fc 1.0 -i 40 "
# run_lapw -ec 0.0001
This gives error message
DSTART ENDS
0.236u 0.021s 0:00.25 100.0% 0+0k 0+0io 0pf+0w
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libc.so.6 0068B680 Unknown Unknown Unknown
libc.so.6 0068BD30 Unknown Unknown Unknown
libc.so.6 0068C33A Unknown Unknown Unknown
lapw0 080B5FC0 Unknown Unknown Unknown
lapw0 08094534 Unknown Unknown Unknown
lapw0 080647EE Unknown Unknown Unknown
On Mon, 2008-01-28 at 16:02 +0100, Stefaan Cottenier wrote:
> As you run only dstart (and not x dstart -c -up/dn), you seem to have a
> nonspinpolarized run. But you use runsp.
>
> Stefaan
Help me out
U. P. Verma
>
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