[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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