[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: