Thanks both Pietro and Lorenzo. I will try the options you suggested (and I will light a candle...) :p
On Fri, Apr 26, 2019 at 7:03 PM Pietro Delugas <[email protected]> wrote: > Yes it's possible. I am using a version released in 2018, the interface > used in qe is the 2016 one though. > With intel and mkl everything worked smoothly, I had just to follow the > instructions printed out by the help option of configure. > Ciao!!! > > > Il 26 apr 2019 6:40 PM, Lorenzo Paulatto <[email protected]> ha scritto: > > > If the number of bands is not prohibitively large you can try to run > > with the option -nd 1, which disables the usage of scalapack. I also > > noticed that compiling with elpa parallel diagonalization is more > stable. > Is it possible to use the most recent versions of ELPA? I have lost so > much time trying to get this library to work around ~2016 that I have > never tried it again since. > > cheers > > > -- > Lorenzo Paulatto - Paris > _______________________________________________ > Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Federico IORI Computational material scientist Paris Innovation Campus 1 chemin de la Porte des Loges <https://www.google.com/maps/place/Air+Liquide/@48.8297381,2.2016685,11.75z/data=!4m5!3m4!1s0x47e67e61a4fbbdc7:0xca3bea9e80059880!8m2!3d48.7630415!4d2.1333045> Les Loges en Josas – 78354 Jouy en Josas cedex Mail: [email protected] Phone: +33 7 621 605 15
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