[DFTB-Plus-User] DFTB+ 19.1 installation

[Ben Hourahine]

Hello Anshu,

are the library paths set in your make.arch for the locations of the 
ELSI components (not make.config)?

The extra prefixes come from your Fortran compiler's way of handling 
module name spaces.

If you are still having problems, send both your make.arch and 
make.config files to me off list.

Regards

Ben

On 16/07/2019 14:26, Anshu Gaur wrote:
> Hello,
>
> I am facing problem while installing 19.1 version (with ELSI and 
> PEXSI). ELSI library alsong with PEXSI is installed and the links are 
> provided in 'make.config'. The error(s) I get are partly replicated 
> below:
>
> /---------------------------------
>
> elsisolver.o: In function `dftbp_elsisolver_MP_telsisolver_final_':
> elsisolver.f90:(.text+0x18): undefined reference to 
> `elsi_setup_MP_elsi_finalize_'
> elsisolver.o: In function `dftbp_elsisolver_MP_telsisolver_reset_':
> elsisolver.f90:(.text+0x3d): undefined reference to 
> `elsi_setup_MP_elsi_reinit_'
> elsisolver.f90:(.text+0xc6): undefined reference to 
> `elsi_setup_MP_elsi_init_'
> elsisolver.f90:(.text+0xe1): undefined reference to 
> `elsi_setup_MP_elsi_set_mpi_global_'
> elsisolver.f90:(.text+0xf6): undefined reference to 
> `elsi_set_MP_elsi_set_illcond_check_'
> .
> .
> .
>
> eigenvects.o: In function `dftbp_eigenvects_MP_diagdenserealmtxblacs_':
> eigenvects.f90:(.text+0x148b): undefined reference to 
> `elsi_rw_MP_elsi_write_mat_real_'
> eigenvects.f90:(.text+0x1762): undefined reference to 
> `elsi_rw_MP_elsi_write_mat_real_'
>
> recipe for target 'dftb+' failed
> make[1]: *** [dftb+] Error 1
> --------------------/
>
> Any particular reason for such error. Specifically, why is 
> 'elsi_setup_MP_' or 'elsi_rw_MP_' added in front of objects?
>
> Any help is much appreciated and eagerly waiting to try version 19.1 
> (have been using 18.2 for past one year or so).
>
> Regards,
>
> Anshu Gaur
>
>
>
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-- 
         Dr.  B.  Hourahine,  Senior  lecturer
             SUPA, Department  of  Physics,
              University  of  Strathclyde,
               John  Anderson  Building,
           107 Rottenrow, Glasgow G4 0NG, UK.
   +44 141 548 2325, benjamin.hourahine at strath.ac.uk

The  Department is  a partner  in SUPA,  the Scottish
             Universities Physics Alliance
             
The University  of Strathclyde  is a  charitable body,
        registered in Scotland, number SC015263