[Pw_forum] restart cp on Blue Gene

[Silviu Zilberman]

Hi,

I am using the latest cvs on an IBM  Blue Gene machine. It seems that 
simple restart is not working, and I get the following error message:

   reading restart file: .//CO_inhib_CN_up_DTN_cubane_50.save
########################################################################################################################
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_dat (iotk_dat.spp:688)
# CVS Revision: 1.3
########################################################################################################################

I did not experience similar problems on our Linux machines and it used 
to work in the past.

Any ideas?

Below is my input file.

Thanks, Silviu.

-----------------------------------------------------------------------------------
INPUT FILE:

  &CONTROL
    calculation='scf',
    restart_mode = 'restart',
    iprint = 10000,
    isave  = 25000,
    dt     = 7.0,
    pseudo_dir = '/home0/silviu/Pot/',
    outdir = '/scr0/silviu/CO_inhib_CN_up_DTN_cubane',
    prefix = 'CO_inhib_CN_up_DTN_cubane',
    nstep  = 100000,
    etot_conv_thr = 1.d-5,
    ekin_conv_thr = 1.d-6,
 /
  &SYSTEM
    ibrav = 1,
    celldm(1) = 35.0d0,
    nat = 53,
    ntyp = 6,
    ecutwfc =30.0,
    ecutrho =180.0,
    nr1b=18, nr2b=18,  nr3b=18,
    nspin=2,
    tot_charge=-3.0,
    multiplicity=2,
  /
 &ELECTRONS
    emass = 700.d0,
    emass_cutoff = 0.8,
    orthogonalization = 'ortho',
    ortho_eps = 1.e-8,
    ortho_max = 100,
    electron_dynamics= 'damp',
    electron_damping =0.08,
    electron_velocities = 'zero',
 /
 &IONS
    ion_dynamics = 'none',
    ion_damping = 0.001
  /
AUTOPILOT
    on_step = 20 : dt = 10
    on_step = 30 : dt = 15
    on_step = 200 : dt = 7
    on_step = 200 : ion_dynamics = 'damp'
ENDRULES
ATOMIC_SPECIES
   Fe 55.845  fe_PBE_filippo.van
   S  31.9720 016-S-gpbe--bm.van
   O  15.9994 008-O-gpbe--bm.van
   N  14.0030 007-N-gpbe--bm.van
   C  12.0107 006-C-gpbe--bm.van
   H   1.0079 001-H-gpbe--bm.van
ATOMIC_POSITIONS bohr
....