Finally I installed software and libraries you suggested (*openmpi, FFTW, Intel® math kernel library (MKL) library*)
>From my server architecture and GPU configuration, what you suggest the best choice for algebra libraries *ScaLAPACK or MAGMA?* Thanks in advance Regards Phanikumar On Tue, Dec 6, 2016 at 2:38 PM, Filippo SPIGA < [email protected]> wrote: > On Dec 6, 2016, at 4:50 AM, Phanikumar Pentyala <[email protected]> > wrote: > > Initially I written my GPU was Tesla K40, but it is not. Actual series > name was NVIDIA Tesla K40m. Sorry for that, that was my mistake > > Not a difference between the two apart the cooling. > > > > If I try compilation with QE-5.3.0, It was different error > (config.status: error: cannot find input file: ../include/fft_defs.h.in) > > 5.4, not 5.3. Not worth looking at 5.3 with the latest version > > > > Intel® math kernel library (MKL) > > Yes, download them for free > > > > Intel® Message Passing Interface (MPI) library installation required or > not? > > No, download Open MPi or install it via apt-get/yum/whatever on the system > > Moreover make sure you have any fort of FFTW installed in the system as > well. > > > -- > Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso. > org > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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