On Wed, Aug 25, 2021 at 12:10 PM Kondaiah Samudrala <[email protected]> wrote:
> > 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. > This indicates that the problem is not in QE but in the compiler/mathematical libraries, especially if it happens for "every input structure" Paolo > 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 > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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