[Pw_forum] Computer Specification for running QE

Paolo Giannozzi p.giannozzi at gmail.com
Wed Nov 8 19:06:27 CET 2017


On Wed, Nov 8, 2017 at 4:03 PM, Giuseppe Mattioli <
giuseppe.mattioli at ism.cnr.it> wrote:

Remember, however, that "ordinary" PCs are not generally designed to crunch
> numbers 24/7
> forever, and they will not last very long if you use them as workhorse
> machines.
>

really? I use all the time my 2007 vintage desktop for development ...

Paolo


> Quoting Krishnendu Mukherjee <krishnendu.mukherjee789 at gmail.com>:
>
> > Dear Experts,
> >
> >  Can you please let me know whether we always need a supercomputer to run
> > Quantum Espresso (QE) or a Personal Computer can do the job. If Personal
> > Computer is sufficient to run QE can you kindly let me know the required
> > configuration: Required RAM, processor speed, operating system (LINUX or
> > Windows), serial or parallel computation. If any other important
> capability
> > is required.
> >
> >  The number of atoms required for my calculation is 50-100. And I want to
> > calculate both electronic and vibrational free energy.
> >
> > Thanking you,
> > Yours sincerely,
> > Krishnendu Mukherjee
> >
> >
> > --
> > Dr. Krishnendu Mukherjee,
> >
> > Principal Scientist,
> > CSIR-NML,
> > Jamshedpur.
>
>
>
> GIUSEPPE MATTIOLI
> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
> Via Salaria Km 29,300 - C.P. 10
> I-00015 - Monterotondo Scalo (RM)
> Mob (*preferred*) +39 373 7305625
> Tel + 39 06 90672342 - Fax +39 06 90672316
> E-mail: <giuseppe.mattioli at ism.cnr.it>
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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