[CPMD-list] segmentation fault occurred

=?gb2312?q?=EA=B0=BD=F0=C1=BC?= zjl860726 at yahoo.com.cn
Wed Apr 2 07:12:01 CEST 2008


Dear all,dear Axel
  
i am a abecedarian for cpmd. nowdays, i just do the "4 DAY"exercises ,and want to learn how to use cpmd for a md calculation. when i come to "DAY3", an error occured. the inp3 's content is 
   
  &CPMD
  PROPERTIES
  RESTART WAVEFUNCTION
&END
  &PROP
  CHARGES
&END
  &DFT
  FUNCTIONAL PBE
&END
  &SYSTEM
  SYMMETRY
  1
  CELL
  15.0000  1.0  1.0  0  0  0
  CUTOFF
  70.0
&END
  &ATOMS
*O_MT_PBE.psp  KLEINMAN-BYLANDER
   LMAX=P
   1
     0.0000 -0.1267  0.0000
*H_MT_PBE.psp 
   LMAX=S
   2
     0.0000  1.0058  1.4524
     0.0000  1.0058 -1.4524
&END
  i finished  the inp1,inp2 smoothly,but when it comes to inp3,the programe stopped, giving me following information,
  "forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
cpmd311            000000000063A05E  Unknown               Unknown  Unknown
cpmd311            0000000000403ACC  Unknown               Unknown  Unknown
cpmd311            0000000000403666  Unknown               Unknown  Unknown
cpmd311            000000000040362A  Unknown               Unknown  Unknown
Unknown            0000003CC0C1C3FB  Unknown              Unknown  Unknown
cpmd311            000000000040356A  Unknown               Unknown  Unknown
 "
i met this problem" segmentation fault occurred " several times before. 
how can i to deal with  it?
thanks!
  Allen



       
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