Dear QE community, a colleague of mine is using Intel compiler and libraries to compile QE 6.1. We used
compilers_and_libraries_2017.1.132 and parallel_studio_xe_2017.1.043 I got apparently normal results using "mpirun -np 21", but very different results using "mpirun -np 21 -nk 7", and relevant longer time of calculations. I suspect there is something wrong with libraries or mpi. Before to dig more deep in the debugging, do anybody is aware of any inconsistencies/anomalies using the mentioned compiler/libraries? We are using also docker... Thank you, Carlo -- ------------------------------------------------------------ Prof. Carlo Nervi [email protected] Tel:+39 0116707507/8 Fax: +39 0116707855 - Dipartimento di Chimica, via P. Giuria 7, 10125 Torino, Italy. http://lem.ch.unito.it/
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