[Pw_forum] pw.x seg. faults with EXX

Omololu Akin-Ojo prayerz.omo at gmail.com
Thu Aug 4 11:50:52 CEST 2011

Ciao Tutti,

I am trying to do a calculation with the PBE0 functional. I compiled
pw.x using -DEXX. However, I got the following message when I tried to
run. (If I replace input_dft='pbe0' with input_dft='pbe', I don't have
this error but this is obviously not what I want.
Thanks in advance for any help.

     XC functional enforced from input :
     Exchange-correlation      = PBE0 (6484)
     EXX-fraction              =        0.25
     !!! Any further DFT definition will be discarded
     !!! Please, verify this is what you really want !

     file O.pbe-mt.UPF: wavefunction(s)  0S 0P 0D renormalized

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used

[compute-1-7:09041] *** Process received signal ***
[compute-1-7:09041] Signal: Segmentation fault (11)
[compute-1-7:09041] Signal code: Address not mapped (1)
[compute-1-7:09041] Failing at address: 0x5


Postdoctoral Fellow,
ICTP, Trieste, ITALY

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