[QE-users] Problems in the compilation process

ANTONIO DOUGLAS DA SILVA GUEDES LIMA antonio.guedes at discente.ufma.br
Sat Mar 25 20:46:17 CET 2023


Dear users,
Following the instructions provided in MaX School on Advanced Materials and
Molecular Modelling 2021 and User's Guide for Quantum Espresso (v.7.0), I
am trying to install install QE-6.7. I follow all steps and I have already
overcome several error messages in the installation process, but curiously,
despite in run ./configure steps (and combinations of options to overcome
error messages that appeared) and after running make pw (or 'make all')
command, I can't run the executable programs modules of QE (such as open
pwgui graphic interface or 'mpirun pw.x -i pw.molecule.scf.in >
pw.molecule.scf.out &'). The User's Guide and files from MaX School says
that executable programs should appear in 'bin/' subdirectory (bin/*.x) of
qe-6.7 folder. I try installing it using virtual machine ubuntu 20.04 and
using cygwin terminal, but in all cases, in successive attempts, the
subdirectory 'bin/' was empty and I couldn't run the executables. I
installed the gfortran, gcc, openmpi and make packages.
Can someone help me and suggest some solutions to my problem?

Thank you,

Douglas Guedes
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