[QE-users] error in produce pseudopotentials

wangzongyi at mail.ustc.edu.cn wangzongyi at mail.ustc.edu.cn
Tue Mar 19 13:35:49 CET 2024


Dear all 
I am trying to make my pseudopotentials by using QE7.2 under the guide of https://github.com/dalcorso/pslibrary?tab=readme-ov-file , however, I failed.
Firstly, I inserted the path to the QE_path file. The file reads: 


#!/bin/bash


PWDIR='/public3/home/scg9084/wzy/qe-7.2-new'


Then I input my command :


. ./make_all_ps


however, the program shows:


.../public3/home/scg9084/wzy/qe-7.2-new/bin/ld1.x: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory


I can't understand what it means, could you help me?
Thank you very much


Zongyi Wang
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