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