[Pw_forum] Serial Diagonalization

[Paul Jennings]

Dear QE Users,

I am trying to run a relaxation with Davidson diagonalization in serial using QE 4.3.2. I have set the submission script up with the run command utilising "-ndiag 1" as stated in QE Wiki: 

  aprun -n $NPROC -N $NTASK pw.x    -npool 1 -ndiag 1 -inp < Ti8_0_2.in > Ti8_0_2.out

However, my calculations are still running with parallel diagonalization: 

>From Output
-------------------------------------------------------------------------------------------
     Subspace diagonalization in iterative solution of the eigenvalue problem:
     parallel, distributed-memory algorithm (size of sub-group:  6*  6 procs)
-------------------------------------------------------------------------------------------

I have also attached the input file. Any help would be appreciated.

Many thanks,
Paul Jennings 

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Paul Jennings

Centre for Hydrogen and Fuel Cell Research
PEMFC Research group
School of Chemical Engineering
The University of Birmingham
Edgbaston, Birmingham B15 2TT (U.K.)

E:  PCJ994 at bham.ac.uk
T:  07816644583
W: www.fuelcells.bham.ac.uk

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