[DFTB-Plus-User] Conda installation but not executable

Manuel Pérez Escribano manuel.perez-escribano at uv.es
Thu Jan 26 12:50:48 CET 2023


Dear, I tried to install DFTB+ using anaconda, and more precisely using 
the package file at: https://anaconda.org/conda-forge/dftbplus/files 
([linux-64/dftbplus-22.2-mpi_openmpi_h573552d_1.conda]) to run the 
program using MPI and OPENMPI.

I used the following command:

conda install dftbplus-22.2-mpi_openmpi_he16b3d8_1.conda

While dftb+ is located in conda/bin as a binary, I cannot execute it 
using mpirun /pathtodftbplus/. The binary is not executable and I tried 
to make chmod +777 to run it but when I execute it gives me an error:

cannot execute binary file

Because of incorrect format. Am I doing something wrong? I made the 
installation through the package file because conda is so slow in my 
cluster




More information about the DFTB-Plus-User mailing list