[QE-users] Error in routine seqopn after BFGS optimzation

[Akhil g.nair]

Dear Sir/Madam,
I use an HPC Linux-based system for the QE calculation.
Following is my input file:
"&CONTROL    calculation   = "relax"    forc_conv_thr =  1.00000e-03    max_seconds   =  2.41920e+08    nstep         = 500    pseudo_dir    = "."    outdir        = "./"    restart_mode  = "from_scratch"/
&SYSTEM    a                         =  1.02200e+01    c                         =  8.50000e+00    constrained_magnetization = "none"    degauss                   =  2.00000e-02    ecutrho                   =  6.37306e+02    ecutwfc                   =  7.08118e+01    ibrav                     = 6    nat                       = 96    nbnd                      = 1344    nosym                     = .TRUE.    noinv       = .TRUE.    nspin                     = 2    ntyp                      = 2    occupations               = "smearing"    smearing                  = "marzari-vanderbilt"    starting_magnetization(1) =  0.00000e+00    starting_magnetization(2) =  2.00000e-01    starting_magnetization(3) =  0.00000e+00/
&ELECTRONS    conv_thr         =  1.00000e-06    diago_david_ndim = 4    diagonalization  = "david"    electron_maxstep = 500    mixing_beta      =  2.00000e-01    mixing_mode      = "local-TF"    mixing_ndim      = 10    startingpot      = "atomic"    startingwfc      = "atomic+random"/
&IONS    ion_dynamics = "bfgs"/
K_POINTS {automatic} 3  3  3  0 0 0
ATOMIC_SPECIESFe     55.84500  Fe.upfB      10.81100  B.upf
ATOMIC_POSITIONS {crystal}Fe      0.079050   0.329050   0.000000Fe      0.420950   0.170950   0.000000..."

After the completion of the BFGS optimization, it shows an error which reads; "     Error in routine seqopn (90):     error opening ./pwscf.restart137
" Please help me in this regard.
Thank youAkhil NairHBNI, INDIA
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