[Pw_forum] Errors in examples of QuantumEspresso

leila salimi l.salimi at ph.iut.ac.ir
Wed Jul 8 12:59:38 CEST 2009


Hi every body,
I have been trying to install the code "espresso-4.0.5" on IBM pSeries 575, a clustered SMP (Symmetric Multiprocessing) system.
and I used the special make.sys which is matched with our system and then ¨make pwall¨ was successful but now I'm getting the following error trying to run the examples.
I will attach "make.sys" and "environment_variables" to this mail.
Do you have any idea what is going wrong?

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


 from ewald : error #         1
>      optimal alpha not found 

running the scf calculation...STOP 2
Error condition encountered during test: exit status = 2
Aborting
  running the geometry relaxation for CO...STOP 2
Error condition encountered during test: exit status = 2
Aborting
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