stuck in "running wannier90" in example 2 epw calculation

Post here questions linked with issue while running the EPW code

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rundong
Posts: 2
Joined: Wed Mar 24, 2021 1:24 am
Affiliation: Kunming U. of Sci. and Tech.

stuck in "running wannier90" in example 2 epw calculation

Post by rundong »

Dear all,

When I run the Example 2 sic, I got stuck in "Running Wannier90". The following are the steps I took:
In the phonons:
mpirun -np 16 pw.x -nk 16 -in scf.in > scf.out
mpirun -np 16 ph.x -nk 16 -in ph.in > ph.out
python3.8 pp.py
In the running python script, I typed "sic" as the prefix and "16" as the irreducible q-points.
In the epw:
mpirun -np 16 pw.x -nk 16 -in scf.in > scf.out
mpirun -np 16 pw.x -nk 16 -in nscf.in > nscf.out
mpirun -np 16 epw.x -nk 16 -in epw.in > epw.out
After the MMN calculation, the epw.x kept running without any new output.
I installed EPW successfully.
Many thanks in advance for any advice.

Rundong Wan

Kunming U of Sci and Tech

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: stuck in "running wannier90" in example 2 epw calculation

Post by hpaudya1 »

Hi Rundong,

Which version of the code are you using? I just ran the sic example with qe6.7 (epw5.3.1), and could not reproduce your error. It would easy to track if you could provide your output files.

Best,
Hari

rundong
Posts: 2
Joined: Wed Mar 24, 2021 1:24 am
Affiliation: Kunming U. of Sci. and Tech.

Re: stuck in "running wannier90" in example 2 epw calculation

Post by rundong »

Dear Hari,

Thanks for the message. I just got it fixed. I had compiled the Wannier90 library parallelly. After I re-compiled the library, the execution went smoothly.
Sorry for the fuss and thank you again anyway.

Best,
Rundong

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