[DFTB-Plus-User] DFTB+ 19.1 installation

Anshu Gaur agaur at iitk.ac.in
Tue Jul 16 15:26:59 CEST 2019


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 
elsisolver.o: In function `dftbp_elsisolver_MP_telsisolver_reset_':
elsisolver.f90:(.text+0x3d): undefined reference to 
elsisolver.f90:(.text+0xc6): undefined reference to 
elsisolver.f90:(.text+0xe1): undefined reference to 
elsisolver.f90:(.text+0xf6): undefined reference to 

eigenvects.o: In function `dftbp_eigenvects_MP_diagdenserealmtxblacs_':
eigenvects.f90:(.text+0x148b): undefined reference to 
eigenvects.f90:(.text+0x1762): undefined reference to 

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).


Anshu Gaur

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