[Pw_forum] Sementation fault error with ph.x

Hong, SamPyo likedew at phys.ksu.edu
Tue Dec 14 03:48:19 CET 2004


Hello, dear Pwscf users,

I am trying to calculate the G-point frequencies of N/Cu(100) system.
However, I am experiencing the sementation fault error in the very
beginning of running of ph.x.
It seems that alyways the process 0 has the problem. 
I increased the total number of cpus from 8 to 16 without improvement.
Please take a look at the error shown in the below and let me hear your
valuable advices.
The machine platform used for the calculation is IBM POWER 4.

Best regards,

Sampyo.

==OUTPUT of ph.x ==================
     Parallel version (MPI)
     Number of processors in use:     16
     R & G space division: nprocp =   16


     Ultrasoft (Vanderbilt) Pseudopotentials

     Planes per process (thick) : nr3 =308 npp =  20 ncplane = 1600

     Planes per process (smooth): nr3s=220 npps=  14 ncplanes=  784

 Proc/  planes cols    G   planes cols    G    columns  G
 Pool       (dense grid)      (smooth grid)   (wavefct grid)
  1     20     68  13298   14     34   4696   10    770
  2     20     67  13273   14     34   4686   10    768
  3     20     68  13292   14     34   4682   10    768
  4     20     68  13292   14     34   4690   11    781
  5     19     68  13288   14     34   4700   10    762
  6     19     68  13288   14     34   4674   10    766
  7     19     68  13288   14     34   4680   10    764
  8     19     68  13288   14     34   4704   10    768
  9     19     68  13288   14     34   4700   10    764
 10     19     68  13288   14     34   4704   10    766
 11     19     67  13273   14     34   4704   10    766
 12     19     68  13294   14     35   4717   10    766
 13     19     67  13273   13     34   4676   10    782
 14     19     68  13290   13     34   4680   10    766
 15     19     68  13296   13     34   4688   10    768
 16     19     68  13296   13     34   4692   10    766
  0    308   1085 212605  220    545  75073  161  12291


     nbndx  =   116  nbnd   =   104  natomwfc =   116  npwx   =     624
     nelec  =  208.00 nkb   =   250  ngl    =    2958 
===End of the OUTPUT=======================
===Error message ===========================
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
STOP 1
ERROR: 0031-250  task 0: Segmentation fault
ERROR: 0031-250  task 13: Terminated
ERROR: 0031-250  task 9: Terminated
ERROR: 0031-250  task 14: Terminated
ERROR: 0031-250  task 8: Terminated
ERROR: 0031-250  task 11: Terminated
ERROR: 0031-250  task 1: Terminated
ERROR: 0031-250  task 15: Terminated
ERROR: 0031-250  task 2: Terminated
ERROR: 0031-250  task 3: Terminated
ERROR: 0031-250  task 4: Terminated
ERROR: 0031-250  task 5: Terminated
ERROR: 0031-250  task 12: Terminated
ERROR: 0031-250  task 7: Terminated
ERROR: 0031-250  task 10: Terminated
ERROR: 0031-250  task 6: Terminated
====End of the Error message ===============




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