Re: [Wien] [Extern] Re: RAM issues in lapw1 -bands

2018-11-28 Thread Laurence Marks
You may have the same memory leak. There is no fix for this at present, but it can be avoided by using the 2015 impi version which you may be able to download (I am not sure). Other earlier impi may work, although if you have an AVX512 machine you might run into another issue

Re: [Wien] [Extern] Re: RAM issues in lapw1 -bands

2018-11-28 Thread Coriolan TIUSAN
Yes, it   seems to be, as extracted from 'mpiexec --version': Intel(R) MPI Library for Linux* OS, Version 2019 Build 20180829 (id: 15f5d6c0c) C. Tiusan La 28/11/2018 14:48, Laurence Marks a scris: Are you using mpi? If so, what flavor?

Re: [Wien] RAM issues in lapw1 -bands

2018-11-28 Thread Laurence Marks
Are you using mpi? If so, what flavor? http://zeus.theochem.tuwien.ac.at/pipermail/wien/2018-November/028824.html _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Wed,

[Wien] RAM issues in lapw1 -bands

2018-11-28 Thread Coriolan TIUSAN
Dear wien2k users, I am running wien 18.2 on Ubuntu 18.04 , installed on a HP station: 64GB,  Intel® Xeon(R) Gold 5118 CPU @ 2.30GHz × 48. The fortran compiler/math library are ifc and intel mkl library. For parallel execution I have MPI+SCALAPACK, FFTW. For parallel execution  (-p options