[Pw_forum] error - "not implemented"
Sergei Lisenkov
proffess at yandex.ru
Mon Aug 11 07:50:56 CEST 2003
Dear PW users,
Recently I found the next errors:
...
Parallel version (MPI)
Number of processors in use: 50
R & G space division: nprocp = 50
Ultrasoft (Vanderbilt) Pseudopotentials
Complex Hamiltonian
current dimensions of program pwscf are:
ntypx= 6 npsx = 6 lmax = 3 npk =40000
nbrx = 6 lqmax = 7 nqfm = 8
current restart_mode = from_scratch
current disk_io mode = default
RECOVER from restart file has been switched off on input
Writing file pwscf.save
file written
Planes per process (thick) : nr3 = 96 npp = 2 ncplane = 144
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from data_structure : error # 1
some processors have no pencils, not yet implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Another error appears on my PC machine. I calculated the structure with only Gamma point. I used the pwg.x version. But I got:
....
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from c_bands : error # 1
not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
What is "not implemented"? I used also pw.x version - it is works.
Many thanks ,
Sergey
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