[Pw_forum] Running problem on HP-COMPAQ-APHA machine!

Adrain Zhou adrainzhou at yahoo.com.cn
Thu Aug 19 08:22:20 CEST 2004


Dear all,
 
I compiled pwscf on HP-COMPAQ-APHA successfully. But I met the problem when running,
 
!. The pwscf stops here.
 G cutoff =  647.4808  (  40801 G-vectors)     FFT grid: ( 54, 45, 36)
     nbndx  =    12  nbnd   =     3  natomwfc =     9  npwx   =    2584
     nelec  =    2.00 nkb   =     8  ngl    =    5595
  warning: negative or imaginary core charge    -0.000002    0.000000
     Initial potential from superposition of free atoms
prun: /home/564/axd564/bin/pw.x (host sc64 process 0 pid 600317) killed by signal 6

2. There are some other error information:
forrtl: error (73): floating divide by zero
forrtl: error (73): floating divide by zero
   0: __FINI_00_remove_gp_range [0x3ff81a21488]
   1: __FINI_00_remove_gp_range [0x3ff81a2a200]
   2: __FINI_00_remove_gp_range [0x3ff800d9c30]
   0: __FINI_00_remove_gp_range [0x3ff81a21488]
   1: __FINI_00_remove_gp_range [0x3ff81a2a200]
   2: __FINI_00_remove_gp_range [0x3ff800d9c30]
   3: potinit_    3: potinit_ [potinit.f90: 162, 0x12011b328]
[potinit.f90: 162, 0x12011b328]
   4: init_run_    4: init_run_ [init_run.f90: 38, 0x1200c5028]
   5: pwscf_ [init_run.f90: 38, 0x1200c5028]
   5: pwscf_ [pwscf.f90: 88, 0x12002fae4]
   6: main [pwscf.f90: 88, 0x12002fae4]
   6: main [for_main.c: 203, 0x12022707c]
   7: __start [0x12002f728]
[for_main.c: 203, 0x12022707c]
   7: __start [0x12002f728]
prun: no core file for job 565813 in /local/core/rms/565813

Could anybody please tell me what is wrong with it? Many thanks!
 
Regards,
Adrain 



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