Not sure if it will help your issue but Intel 17 update 2 (2017.2.174) is available. Ye
=================== Ye Luo, Ph.D. Leadership Computing Facility Argonne National Laboratory 2017-03-17 15:03 GMT-05:00 Ari P Seitsonen <[email protected]>: > > Dear Carlo, > > I do not have direct experience nor with QE, but I have seen this from > another code: > > -------------------------------------------------------------------------- > Date: Fri, 27 Jan 2017 14:37:06 +0000 > From: Iain Bethune <[email protected]> > Reply-To: [email protected] > To: [email protected] > Subject: Re: [CP2K:8598] error in qs_ks_methods.F depending on number of > cores (intel compiler) > > Further to what I reported this morning, I found that the MKL release > 2017.1.132 is buggy. I was able to get a successful build using the > compiler from the 2017.1.132 release and MKL from the previous (2017.0.098) > release. > -------------------------------------------------------------------------- > > Personally I had similar issues (again with CP2K), but I do not remember > if it was with exactly that version; in any case I reverted from Intel > v2017 to v2017 and I was able to run the code. > > Maybe not very useful, but... I would try with 'gfortran' (and OpenMPI, > if possible). > > Greetings, > > apsi > > -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*= > -=*=-=*=-=*=-=*=- > Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/ > Ecole Normale Supérieure (ENS), Département de Chimie, Paris > Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935 > > > On Fri, 17 Mar 2017, Carlo Nervi wrote: > > 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/ >> >> > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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