[Pw_forum] scf

Paolo Giannozzi p.giannozzi at gmail.com
Mon Jun 8 11:32:08 CEST 2015

On Mon, Jun 8, 2015 at 11:15 AM, H.Y Geoffrey Tse <geoffrey.tse at pku.edu.cn>

     Message from routine get_command_line:
>      unexpected argument # 2     :-inp
> [...]
> I enclose the file input here.

the input file is unrelated with the message: the problem is in the command
line you are using to run the code.
The correct syntax is something like "mpirun -np 32 pw.x -inp somefile
-ndiag 4 .."
(that is: a keyword introduced  by "-", followed by a value). Judging from
the error message, you are using
something like "mpirun -np 32 pw.x -some-valid-keyword -inp somefile  .."


Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
hone +39-0432-558216, fax +39-0432-558222
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