On 11/17/22 11:57, Riccardo Piombo uniroma1 via users wrote:
However, when I try to launch a pw.x job the terminal says that
there's no executable with that name! (I checked the path to the pw
folder and the fact that the pw.x file actually exists)
if the terminal says "there is no executable with that name", well,
there is no executable with that name. If the executable (PW/src/pw.x,
not the symbolic link in bin/pw.x) really exists, it is a problem of the
configuration of your environment, not of QE.
Paolo
Then I didn't understand what prof. Ruffino said:
The make.inc file generated in the main folder doesn't contain any
LD_LIBRARY_PATH variable. Maybe you mean filling with the correct path
the right hand side of lines SCALAPACK_LIBS = , LAPACK_LIBS =, FFT_LIBS
= and so on?
Finally, prof. Giannozzi maybe refers to /modulefiles-setup.sh/ file
which is the other executable present in the intel oneapi folder as you
download
the whole intel package.
Thanks a lot for your help,
Riccardo Piombo
Post doc researcher in Condensed Matter Physics at Sapienza University
of Rome
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
