[QE-users] Huge memory storage
p.giannozzi at gmail.com
Sat Apr 21 20:32:19 CEST 2018
The size of wavefunction files (typically the largest) is determined by the
number of k-points, plane waves, bands.
If you do not need those files, you may specify "disk_io=none".
On Sat, Apr 21, 2018 at 7:02 AM, Rajneesh Chaurasiya <rajnano2012 at gmail.com>
> Dear all,
> I did a NSCF calculation of 4*4 supercell of MoS2, and find out that it
> occupied 650 GB memory. So it there any trick to minimize the storage limit
> of files produced during nscf calculation.
> Thank you and waiting for your response.
> On Sat, Apr 21, 2018 at 10:28 AM, Rajneesh Chaurasiya <
> rajnano2012 at gmail.com> wrote:
>> I did a NSCF calculation of 4*4 supercell of MoS2,
>> Thanks & Regards
>> Rajneesh Chaurasiya
>> Research Scholar
>> IIT Jodhpur, India
>> Mob. No. +91-9584499697
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
> users mailing list
> users at lists.quantum-espresso.org
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users