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error using ypp -s b
Posted: Wed Dec 04, 2013 7:42 am
by waynebeibei
Dear all
After GW calculations, I want to use 'ypp -s b' for the bands interpolation. But no more output in o.bands-sp1 file.
Ypp always stop with the error like 'forrtl: info (58): format syntax error at or near ***,a,t***,a)E?'
Attached are the related files. I have tried the versions of 3.30 and 3.40 and the error still exist.
Re: error using ypp -s b
Posted: Wed Dec 04, 2013 7:02 pm
by Daniele Varsano
Dear waynebeibei,
it is difficult to say what is happening there. We should reproduce your error in order to understand.
For that we need your input files.
In the meanwhile let me ask you: what is the outcome if you add this line here? recompile ypp and retry:
in
/ypp/ electrons_bands.F
Code: Select all
102 !
---> write(*,*) USER_K%nibz
103 call msg("s",'Number of K-points in the circuit :',USER_K%nibz)
104 !
Best,
Daniele
Re: error using ypp -s b
Posted: Thu Dec 05, 2013 5:12 am
by waynebeibei
Dear Dr. Daniele Varsano
Pls find the attached files including input files and some outputs.
Note that the parameters are coarse for testing.
Thanks for your kindness...
Re: error using ypp -s b
Posted: Thu Dec 05, 2013 6:43 pm
by Daniele Varsano
Dear Wayne,
the problem you are facing is due to the fact you are asking for a lot of bands, and there is a problem in the format of the output file.
You can either reduce the number of bands (up to 25) or change the code in this way:
in
/src/modules/mod_stderr.F
Code: Select all
32 integer :: g_format_length
33 integer :: of_tabs(30) <---change this value to 40 or more
34 !
35 interface
36 !
After modifying the source and recompiling, it should work.
Anyway, the output files with all these bands will be quite messy, I suggest you to divide your bands in different files.
Best,
Daniele