[Pw_forum] Segmentation fault

[leila salimi]

Hi every body
I use espresso-4.0.5 on IBM pSeries 575, a clustered SMP (Symmetric Multiprocessing) system. 
If I use calculation='scf' no problem and the result matches our testdata.
If we use calculation='relax’ we get the right value for the energy after the first loop and then the application should start with the second loop but it stops with the following error:

======
     energy   new            =    -121.3312114461 Ry

     new trust radius        =        .5000000000 bohr
ERROR: 0031-250  task 0: Segmentation fault
ERROR: 0031-250  task 4: Terminated
ERROR: 0031-250  task 7: Terminated
ERROR: 0031-250  task 6: Terminated
ERROR: 0031-250  task 2: Terminated
ERROR: 0031-250  task 1: Terminated
ERROR: 0031-250  task 5: Terminated
ERROR: 0031-250  task 3: Terminated

We use the following command line:

poe ~/espresso/bin/pw.x -procs 8 -npool 2 < input.relax  > InAs-relax.out 2>&1


Do you have any idea with this problem?

Best Regards,
Leila Salimi
Isfahan University of Technology, Isfahan, Iran.