[Pw_forum] Computer Specification for running QE

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Thu Nov 9 09:20:12 CET 2017


I told you I was sure your desktop belong to the hal9000 series...:-D
Giuseppe

Quoting Paolo Giannozzi <p.giannozzi at gmail.com>:

> 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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>>
>
>
>
> --
> 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



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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