[QE-users] Fail to generate lead.mmn and lead.amn file

wangzongyi at mail.ustc.edu.cn wangzongyi at mail.ustc.edu.cn
Mon Mar 4 01:58:14 CET 2024


Dear all,
I am trying to run the examples given in QE tutorial 2022 by QE7.2 on the cloud supercomputing system, but I meet some problem.
I am doing the fourth step of Day1 exercise6. However, when the program finished, it didn't generate lead.mmn and lead.amn which is supposed to be generated.
This is my file to sbatch the command


#!/bin/bash
#SBATCH -p amd_512
#SBATCH -N 1
#SBATCH -n 1
source /public3/soft/modules/module.sh
module load mpi/intel/17.0.7-thc
export PATH=/public3/home/scg9084/wzy/wannier90-3.1.0:$PATH 
srun pw2wannier90.x < 05_pw2wan.in > pw2wan.out


my lead.win file is given in the attached file which is same to the file given in the tutorial.
What happened? Where should I change? Could you please help me?
Thank you very much!
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