[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
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