[QE-users] Regarding Relaxing atomic positions with version 6.8

[Kondaiah Samudrala]

Dear Paolo,

This is happening for the past two months for every input structure with
new intel compilers(2020). If I use internal lapack and blas, then the same
input is running without any errors. But the computational time is very
high while using internal lapack and blas.
If need I can share the inputs with you personally for the test run(PS:
this work is going to publication). I am very confident about my input
structure but somehow diagonalization process is having some issues (I am
not a developer but frequent use. If I am wrong consider my apologies).
Kindly help me in this regard

with Regards
Konda

Dr. Samudrala Appalakondaiah
Postdoctoral Researcher
Department of Physics,
University of Seoul, Seoul 02504
South Korea
Phone no : +821028514541
Google Scholar ID:
https://scholar.google.co.in/citations?user=d8_gVLwAAAAJ&hl=en
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