[Pw_forum] Compiling QE 6.1 with Intel

[Carlo Nervi]

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

-- 

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Prof. Carlo Nervi carlo.nervi at unito.it  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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