Error when building Yambo 5.1.2

[orient]

Hi, I am trying to compile Yambo from source with use of external libraries only, but I am hitting an error (from compile_yambo.log):

Code: Select all

K_stored_in_a_slepc_matrix.f90(1620): warning #7319: This argument's data type is incompatible with this intrinsic procedure; procedure assumed EXTERNAL.   [CONJG]
           call MatSetValue( slepc_mat, H_pos(2), H_pos(1), conjg(Mij), INSERT_VALUES, ierr )
------------------------------------------------------------------^
K_stored_in_a_slepc_matrix.f90(1620): error #6404: This name does not have a type, and must have an explicit type.   [CONJG]
           call MatSetValue( slepc_mat, H_pos(2), H_pos(1), conjg(Mij), INSERT_VALUES, ierr )
------------------------------------------------------------^
K_stored_in_a_slepc_matrix.f90(1623): error #6633: The type of the actual argument differs from the type of the dummy argument.
           call MatSetValue( slepc_mat, H_pos(1)+SL_K_dim(1), H_pos(2)+SL_K_dim(1),-conjg(Mij), INSERT_VALUES, ierr )
-----------------------------------------------------------------------------------^
K_stored_in_a_slepc_matrix.f90(1630): error #6633: The type of the actual argument differs from the type of the dummy argument.
           call MatSetValue( slepc_mat, H_pos(2)+SL_K_dim(1), H_pos(1),-conjg(Mij), INSERT_VALUES, ierr )
-----------------------------------------------------------------------^
K_stored_in_a_slepc_matrix.f90(1634): error #6633: The type of the actual argument differs from the type of the dummy argument.
             call MatSetValue( slepc_mat, H_pos(1)+SL_K_dim(1), H_pos(2),-conjg(Mij), INSERT_VALUES, ierr )
-------------------------------------------------------------------------^
K_stored_in_a_slepc_matrix.f90(1648): error #6633: The type of the actual argument differs from the type of the dummy argument.
           call MatSetValue( slepc_mat, H_pos(2), H_pos(1)+SL_K_dim(1),-conjg(Mij), INSERT_VALUES, ierr )
-----------------------------------------------------------------------^
compilation aborted for K_stored_in_a_slepc_matrix.f90 (code 1)

I am using Intel compilers v2021.4.0 with GCCcore v11.2.0 on Linux x86_64.
I have tried both serial and parallel, with parallel just producing 2 more errors:

Code: Select all

K_multiply_by_V_transpose_slepc.f90(1624): error #6362: The data types of the argument(s) are invalid.   [CONJG]
       call VecSetValues( vo, pet_one, H_pos, fac*conjg(tmp_value), INSERT_VALUES, ierr )
--------------------------------------------------------^
compilation aborted for K_multiply_by_V_transpose_slepc.f90 (code 1)
mpiifort -c -assume bscc -O3 -g -ip    -nofor-main -qopenmp  -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/include -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/include/headers/common -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/include/headers/parser -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/lib/yambo/driver/include -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/include/driver -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/lib/external/intel/mpiifort/include/  -I/apps/gent/RHEL8/cascadelake-ib/software/netCDF-Fortran/4.5.3-iimpi-2021b/include -I/apps/gent/RHEL8/cascadelake-ib/software/netCDF/4.8.1-iimpi-2021b/include -I/scratch/gent/vo/001/gvo00117/easybuild/RHEL8/cascadelake-ampere-ib/software/PETSc/3.18.4-intel-2021b/include -I/scratch/gent/vo/001/gvo00117/easybuild/RHEL8/cascadelake-ampere-ib/software/SLEPc/3.18.2-intel-2021b/include -I/apps/gent/RHEL8/cascadelake-ib/software/HDF5/1.12.1-iimpi-2021b/include -I/apps/gent/RHEL8/cascadelake-ib/software/libxc/5.1.6-intel-compilers-2021.4.0/include -I/apps/gent/RHEL8/cascadelake-ib/software/imkl/2021.4.0/mkl/2021.4.0/include   -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/lib/yambo/driver/include -I/user/gent/445/vsc44588/temp/yambo/yambo-5.1.2/include/driver K_inversion_do_it_SLK.f90
K_multiply_by_V_slepc.f90(1623): error #6362: The data types of the argument(s) are invalid.   [CONJG]
       call VecSetValues( vo, pet_one, H_pos, fac*conjg(tmp_value), INSERT_VALUES, ierr )
--------------------------------------------------------^
compilation aborted for K_multiply_by_V_slepc.f90 (code 1)

See config.log and compile_yambo.log files attached in the archive (compile_yambo.log is from the parallel build attempt, as can be seen by the last 2 errors).
Any help with this matter would be appreciated.

Thank you,
Filip "Orient" Kružík

[Davide Sangalli]

Please replace the two files in the yambo source inside src/bse/ with the two attached (removing the ".txt" from the filename)

After that the compilation should work.

Best,
D.

[orient]

Hi Davide,
quick diff shows me that the files that you have sent are nearly identical to the ones from Yambo repo (commit tag 5.1.2), and thus are nearly identical to the ones I am currently using. The only difference is the year in the header.

Sincerely,
Filip "Orient" Kružík

[Davide Sangalli]

Ok, I replaced the files with the correct ones.
Now they should be ok.

Best,
D.

P.S.: please add your signature in the user settings. It is a rule of the forum.

[orient]

Hi Davide,
after replacing these files I also had a problem with K_multiply_by_V_transpose_slepc.F, but I have resolved this by using the file in the Revision 21700 commit from the official GitHub repo and now everything works just fine.
Thank you for your help!