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i am doing phonon calculation in quantum espresso. while doing it i am getting an error like..

**********-ideapad:gr$ mpirun ph.x <sample.ph.in> sample.ph.out

Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
STOP 1
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[3530,1],1]
  Exit code:    1
--------------------------------------------------------------------------

can anyone help me with this.

thank you, krk.

Ramakrishna Kotha
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  • IEEE_DENORMAL is [(mostly) harmless](https://stackoverflow.com/a/44309751/4440445) and the fact that QE emits it appears to be a known issue e.g. [Quantum ESPRESSO (at least) prints IEEE_DENORMAL and similar floating-point exceptions](https://github.com/marvel-nccr/quantum-mobile/issues/52). That mpirun aborts when any process terminates with non-zero status looks like it may be configurable at least in the case of the OpenMPI implementation (search the man page for MCA parameter "orte_abort_on_non_zero_status") – steeldriver Aug 11 '23 at 12:48
  • yes i check it and my pc has 4 cores and after that i run the command "mpirun -np 2 ph.x -nk 1 sample.ph.out" but this also gave me the sam error. – Ramakrishna Kotha Aug 11 '23 at 13:18
  • Rather, my suggestion was to try something like `mpirun -mca orte_abort_on_non_zero_status 0 ph.x sample.ph.out` – steeldriver Aug 11 '23 at 14:06

0 Answers0