[Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??

ashkan shekaari shekaari at gmail.com
Wed Jul 23 08:09:15 CEST 2014


dear Siddheshwar
i ran with 1,2, 8, 32, 48, 120 cores , but all had the same failed result.

On 7/23/14, siddheshwar chopra <sidhusai at gmail.com> wrote:
> Dear Ashkan,
> I don't know if I am correct, but you could try reducing the number of
> cores. This way I guess you will have more RAM to be used per core.
>
> Regards,
>
>
> On Wed, Jul 23, 2014 at 10:47 AM, ashkan shekaari <shekaari at gmail.com>
> wrote:
>
>> dear siddheshwar
>>
>> i ran a supercell system made of 48 atoms on a computer server with
>> 120 cores and 6 GB of RAM , but it didn't work . my calculations
>> failed , it needs more than 6 GB of RAM .
>>
>> On 7/23/14, siddheshwar chopra <sidhusai at gmail.com> wrote:
>> > Dear Ashkan,
>> > How much large RAM do you mean? Is it 4GB in total or more? I can add
>> > another 2GB hence.
>> >
>> > Regards,
>> >
>> >
>> > On Wed, Jul 23, 2014 at 6:50 AM, ashkan shekaari <shekaari at gmail.com>
>> > wrote:
>> >
>> >> yes , but you can not run any supercell calculations or defected
>> >> systems
>> >> .
>> >>
>> >> for these calculations you should have a large amount of memory (RAM)
>> >> .
>> >>
>> >> On 7/22/14, siddheshwar chopra <sidhusai at gmail.com> wrote:
>> >> > Dear Users,
>> >> > I am new to QE and really need an estimate about the computational
>> >> > resources needed to run magnetic, phonon, optical and band structure
>> >> > calculations for light, medium and heavy atoms of around 60 atoms
>> >> > supercell. I currently have a dual core 2.7 GHz processor with 2GB
>> RAM,
>> >> > HDD=250GB. Please suggest me so that I can run calculations without
>> any
>> >> > memory of processor issues.
>> >> > I have Windows XP and also Linux mint installed on the same machine.
>> >> > I
>> >> have
>> >> > also increased the virtual memory per partition.
>> >> > I also now how to make an external USB drive work as system RAM.
>> >> > Will
>> >> that
>> >> > help me?
>> >> >
>> >> > Kind Regards,
>> >> >
>> >> > --
>> >> > *Dr. Siddheshwar chopra,*
>> >> >
>> >> >
>> >> > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
>> >> > *Amity University, Noida, India.*
>> >> >
>> >>
>> >>
>> >> --
>> >> Best wishes
>> >> Ashkan Shekaari
>> >> _______________________________________________
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>> >>
>> >
>> >
>> >
>> > --
>> > *Dr. Siddheshwar chopra,*
>> >
>> >
>> > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
>> > *Amity University, Noida, India.*
>> >
>>
>>
>> --
>> Best wishes
>> Ashkan Shekaari
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
> *Amity University, Noida, India.*
>


-- 
Best wishes
Ashkan Shekaari



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