ndb.BS_diago cannot be found by ypp

[Daniele Varsano]

Dear Mitra,

actually I do not know what could be the problem here.
Can you post the report of the BSE calculation for your system?
Please check that the file ndb.BS_diago_Q1 is present in the bse-slepc-QP-k18 directory and you have the BSQindex variable set to 1 in your ypp.in file.

Best,
Daniele

[Davide Sangalli]

Dear Mitra,
we recently fixed a bug related to this issue.

You need to open the file:

Code: Select all

 src/Yio/io_variable_elemental.F

and do the following change

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- if ( VERIFY_ .and. CHECK_ .and. io_status(ID)==0) io_status(ID)=i_err
+ if ( io_mode(ID)==VERIFY .and. CHECK_ .and. io_status(ID)==0) io_status(ID)=i_err

(look for the first line reported here in the file and replace it with the second line.

After that recompile ypp and run the post-processing.
In case it will refuse again the ndb.BS_diago, it should write in the report file which are the problematic variables

Best,
D.