[QE-users] Huge memory storage

[Paolo Giannozzi]

So wavefunction files will take at least 301*500*158472*16/(1024^3)=355Gb

P.

On Thu, Apr 26, 2018 at 5:53 AM, Rajneesh Chaurasiya <rajnano2012 at gmail.com>
wrote:

> Dear Paolo,
> information needed are listed below.
> Zval (Mo) = 14 and Zval (S) = 6
> total number of K points = 301
> number of bands = 500,
> number of plane waves = 158472
> number of g vector = 3335797
>
> Thank you.
>
>
> On Wed, Apr 25, 2018 at 5:12 PM, Rajneesh Chaurasiya <
> rajnano2012 at gmail.com> wrote:
>
>> Dear All,
>>
>> I did a calculation of 4*4 super cell of MoS2 in the order of scf, nscf
>> and then band. and in the final i found that size of directory is around
>> 1.3TB. How i minimize storage of data. because it is not possible to have
>> such a huge memory.
>> Is there any way how to do that. disk_io is the one option but its is
>> possible to restart the job if interrupted suddenly.
>>
>> Thank you
>>
>>
>> On Sat, Apr 21, 2018 at 10:28 AM, Rajneesh Chaurasiya <
>> rajnano2012 at gmail.com> wrote:
>>
>>> Dear,
>>>
>>> I did a NSCF calculation of 4*4 supercell of MoS2,
>>>
>>> --
>>> Thanks & Regards
>>> Rajneesh Chaurasiya
>>> Research Scholar
>>> IIT Jodhpur, India
>>> Mob. No. +91-9584499697
>>>               +91-7610950803
>>>
>>
>>
>>
>> --
>> Thanks & Regards
>> Rajneesh Chaurasiya
>> Research Scholar
>> IIT Jodhpur, India
>> Mob. No. +91-9584499697
>>               +91-7610950803
>>
>
>
>
> --
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
>
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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
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