[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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