[Pw_forum] Problem running EXX_example

[Raji Abdulrafiu]

Dear QE community,

I tried to run the example file embedded in EXX_example in QE version 4.2,
i.e. the one involving the hybrid functional. However, the job suddenly
stopped with the following error message beow. I experienced the same
problem while using the QE version 4.1.....Thanks

==================================================

/home/araji/Codes/espresso-4.1/examples/EXX_example : starting

This example shows how to use pw.x to calculate the total energy and
of silicon and a few small molecules using hybrid functionals.

  executables directory: /home/araji/Codes/espresso-4.1/bin
  pseudo directory:      /home/araji/Codes/espresso-4.1/pseudo
  temporary directory:   /home/araji/tmp
  checking that needed directories and files exist... done

  running pw.x as:  /home/araji/Codes/espresso-4.1/bin/pw.x

  cleaning /home/araji/tmp... done

  running PBE0 calculation for Si with nq=1,2,4
  running the scf calculation for Si with nq = 1 ...Cannot match namelist
object name nqx1
namelist read: misplaced = sign
Cannot match namelist object name 1
Cannot match namelist object name nqx2
namelist read: misplaced = sign
Cannot match namelist object name 1
Cannot match namelist object name nqx3
namelist read: misplaced = sign
Cannot match namelist object name 1
STOP 2
 done
     !!! Please, verify this is what you really want !
  running the scf calculation for Si with nq = 2 ...Cannot match namelist
object name nqx1
namelist read: misplaced = sign
Cannot match namelist object name 2
Cannot match namelist object name nqx2
namelist read: misplaced = sign
Cannot match namelist object name 2
Cannot match namelist object name nqx3
namelist read: misplaced = sign
Cannot match namelist object name 2
STOP 2
 done
     !!! Please, verify this is what you really want !
  running the scf calculation for Si with nq = 4 ...Cannot match namelist
object name nqx1
namelist read: misplaced = sign
Cannot match namelist object name 4
Cannot match namelist object name nqx2
namelist read: misplaced = sign
Cannot match namelist object name 4
Cannot match namelist object name nqx3
namelist read: misplaced = sign
Cannot match namelist object name 4
STOP 2
 done
     !!! Please, verify this is what you really want !

  running now a few molecules with Gamma sampling ...
  pseudo directory changed to:      ../Pseudo
  running oxygen atom..STOP 2
 done
  running carbon atom..STOP 2
 done
  running nitrogen atom..STOP 2
 done
  running n2 molecule..STOP 2
 done
  running co molecule..STOP 2
 done
  running o2 molecule..STOP 2
 done
 summarize
N2 :  0
O2 :  0
CO :  0

=========================================================
-- 
Raji Abdulrafiu Tunde,
Solid state and Material Physics Group,
Department of Physics,
University of Cape Town,
Private Bag X3,
Rondebosch 7701,
Cape Town. South Africa.
Cell: +27730639756
Fax:  +27216503342
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