Hello everyone!
So... I recently installed qe-7.2 on Debian 11 after a huge amount of reading
and debugging and researching and formatting the system, and when I run the
tests to see if all the programs were successfully installed I was returned
with errors in the epw package, since this package is not fundamental to my
calculations I didn't bother and followed on with the learning of the program
following the tutorials for Si crystal structure, band structure and DOS
calculations available on YouTube by Quantum Nerd, but now, since I'm here, I
thought that could be a good moment to ask how to fix this installation issue.
That said, I have more urgent problems, because when I try to run pw.x in
serial mode it gives me back a message saying "SOTP 1", and by looking at the
output file it further specify the error saying that it could not found the
pseudopotential file, even though it is in the proper directory and with the
proper name.
Error in routine readpp (1):
file ./pseudo/Si.pbesol-n-rrkjus_psl.1.0.0.UPF not found
Now, when I try to run pw.x with mpirun -np 2 pw.x -i Si.in > Si.vc_relax.out
it throws me back the message that mpirun could not start pw.x on n0 because it
could not find the file or directory, even though I've already configured pw.x
in the $PATH variable (another pain in the ***).
If anyone can help me, I would appreciate very much.
Thankfully
Luiz Felipe Pompermaier
Msc. Student at UFSC
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