[Pw_forum] from read_namelists : error # 88

[giacsport at libero.it]

Excuse me, I forgot to add a title to the email....

G
>----Messaggio originale----
>Da: giacsport at libero.it
>Data: 26/01/2012 11.43
>A: <pw_forum at pwscf.org>
>Ogg: 
>
>Dear All,
>              I have installed the 4.3.2 version of pwscf on the CINECA sp6 
>machine. The compilation was successful. 
>Now I am trying to make some benchmark calculations with some pseudos I 
>previously used and well tested.
>As far as I launch the job whose input you find below, I get the "usual" 
error 
>message regarding the namelist error, i.e.
>
> 
>     Program PWSCF v.4.3.2      starts on 26Jan2012 at 11:22:14
>
>     Parallel version (MPI), running on     8 processors
>     R & G space division:  proc/pool =    8
>
>     Current dimensions of program PWSCF are:
>     Max number of different atomic species (ntypx) = 10
>     Max number of k-points (npk) =  40000
>     Max angular momentum in pseudopotentials (lmaxx) =  3
>     Waiting for input...
>     Reading input from stdin
>
> 

>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>     from  read_namelists  : error #        88
>      reading namelist system
> 

>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>     stopping ...
>
>
>Now, I find it quite strange, because exactly same input and pseudos gave no 
>error message in a local cluster (Intel Xeon machine).
>Can you help me?
>Thanks!
>
>Giacomo
>
>
>
>
>&CONTROL
>    calculation = "relax"
>    pseudo_dir = './'
>    outdir='./',
>    restart_mode="from_scratch",
>    prefix='ZnO_WZ',
>    tprnfor     = .true.,
>    tstress     = .true.,
>    wf_collect=.true.,
>/
>&SYSTEM
>    ibrav=  4, celldm(1) =6.13821, celldm(3)=1.6023951, nat=  4, ntyp= 2,
>    ecutwfc =105.0,  nbnd = 100,
>    input_dft='hse', nqx1 = 3, nqx2 = 3, nqx3 = 2,
>    x_gamma_extrapolation = .TRUE.
>/
>&ELECTRONS
>    diagonalization='david'
>    mixing_mode = 'plain'
>    mixing_beta = 0.7
>    conv_thr =  1.0d-8
>/
>&IONS
>    ion_dynamics='bfgs'
>/
>ATOMIC_SPECIES
> Zn  65.38     Zn_pz-12.cpi.UPF
>  O  15.9994   O.pz-mt.UPF
>ATOMIC_POSITIONS (crystal)
>Zn       0.935705        1.62101        0.
>Zn       1.87141         0.             2.5938
>O        0.935705        1.62101        1.98114
>O        1.87141         0.             4.57494
>K_POINTS (automatic)
>9 9 6 0 0 0
>
>
>
>-- 
>Giacomo GIORGI
>
>Department of Chemical System Engineering,
>School of Engineering, The University of Tokyo
>7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
>E-mail: giacomo at tcl.t.u-tokyo.ac.jp
>
>