[Pw_forum] process killed

[toufik esssakhri]

thank you very much!

> I'm afraid I cannot help you more than this, at least without seeing your input file.

this is part of my input file:
======================================================
  &control
    calculation='scf',
    prefix='tst-pbe0-fm5fo',
    pseudo_dir='/workdir/share/pseudo_sakhraoui',
    outdir='/home/ipcms/sakhraoui/scratch',
    restart_mode='restart',
    verbosity='high',     wf_collect = .True.,
    disk_io=.true., max_seconds=40000,
 /
 &system
  ibrav=6,  A=4.18,  C=24.72,
  nat =38,   ntyp=4,
  ecutwfc =80,
  occupations='smearing',    smearing='mv',    degauss=0.01,
  nspin = 2,   starting_magnetization(1)=0.5, starting_magnetization(2)=0.5,
  starting_magnetization(3)=0.3,
   input_dft='pbe0',   nqx1=2,   nqx2=2,    nqx3=2,
   exxdiv_treatment='gygi-baldereschi',
/
 &electrons
     mixing_mode = 'local-TF' ,
     mixing_beta = 0.4,     diagonalization = 'david' ,
     conv_thr = 1.0d-6,     electron_maxstep=10000,
/
ATOMIC_SPECIES
    Fe1 55.85    Fe.pbe-mt_fhi.UPF
    Fe2 55.85    Fe.pbe-mt_fhi.UPF
    Rh 102.91    Rh.pbe-mt_fhi.UPF
    Mg 24.305    Mg.pbe-mt_fhi.UPF
    O  10.999    O.pbe-mt_fhi.UPF
ATOMIC_POSITIONS {angstrom}
..................
K_POINTS {automatic}
   8 8 2 1 1 1


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