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After installing QUANTUM ESPRESSO on a i7-laptop I tried to do a scf calculation to see if the QUANTUM ESPRESSO works. I got an output, and the results seems to be OK. However, there is an error that appears in the terminal. It is annoying that it will appear in every calculation I do and also I don`t know if that error affects my calculations. The error appears like that

/Desktop/folder$ mpirun '/homeDesktop/qe-7.0/bin/pw.x' -in scf.in> scf.out```
    ```Invalid MIT-MAGIC-COOKIE-1 keyNote: The following floating-point exceptions are signalling: IEEE_DENORMAL```
    ```Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
    Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

Can anyone help me to fix this, please?

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    $\begingroup$ Did you compiled QE for running in parallel? $\endgroup$
    – Camps
    Feb 1, 2023 at 19:36
  • $\begingroup$ After installing Quantum Espresso I installed mpi to be able to work in parallel environment . To install the mpi I used the command : sudo apt-get install openmpi-bin openmpi-doc libopenmpi-dev $\endgroup$
    – Camilla
    Feb 1, 2023 at 22:39
  • $\begingroup$ This is problem of display driver in newer version of ubuntu. either switch to gdm3 or just ignore the error and keep working $\endgroup$ Feb 2, 2023 at 2:10
  • $\begingroup$ I`m using ubuntu 20.04 $\endgroup$
    – Camilla
    Feb 3, 2023 at 10:13

1 Answer 1

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Neither of these messages are anything to worry about as far as running a MPI parallel version of Quantum Espresso are concerned.

Invalid MIT-MAGIC-COOKIE-1 key is to do with X permissions, and has been reported elsewhere, https://www.reddit.com/r/linuxquestions/comments/njfvoq/invalid_mitmagiccookie1_key_when_running_mpi/ for example, when using openMPI and certain flavours of Linux, mostly more modern versions of Ubuntu and variants thereon. Ignore it.

Note: The following floating-point exceptions are signalling: IEEE_DENORMAL is telling you that your calculation produced some sub/denormal numbers. This is typical and almost certainly harmless. Ignore it.

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