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size of the runing file of the superconducting gap
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Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
size of the runing file of the superconducting gap
Hi dear experts
I work on superconducting properties of a 2D material in order to calculate the superconducting gap

i lunched the script but it's take more than 300Go on the pc is it normal to have this size or the calculation ara wrong ?

Best

Mon Nov 18, 2019 5:40 pm

Joined: Tue Mar 21, 2017 7:11 pm
Posts: 23
University: BinghamtonUniversity
Re: size of the runing file of the superconducting gap
Hi ilias-serifi,

The file size depends on your fine k/q meshes. I am not sure how dense meshes are you using. For example, for my 12 atoms system with k=56*32*16 and q=28*16*8 meshes I got ~250 Gb files.

Best,
Hari Paudyal

Tue Nov 19, 2019 9:48 pm

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
Re: size of the runing file of the superconducting gap
Hello sir Harry

Concerning the meshes i use for k 32x20x1 and q 16x10x1
for the superconducting meshes i use nkf 160x100x1
nqf 160x100x1

Wed Nov 20, 2019 11:33 am

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
Re: size of the runing file of the superconducting gap
in addition i have 2 atoms in my system

best regard sir

Wed Nov 20, 2019 11:37 am

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
Re: size of the runing file of the superconducting gap
another question
if i want to increase my iteration progress which's the command to use
Code:
Nr k-points within the Fermi shell =     16000 out of     16000
Progression iq (fine) =        100/     16000
Progression iq (fine) =        200/     16000
Progression iq (fine) =        300/     16000
Progression iq (fine) =        400/     16000
Progression iq (fine) =        500/     16000
Progression iq (fine) =        600/     16000
Progression iq (fine) =        700/     16000
Progression iq (fine) =        800/     16000
Progression iq (fine) =        900/     16000

i want an iteration by 1000

Best

Wed Nov 20, 2019 12:24 pm

Joined: Tue Mar 21, 2017 7:11 pm
Posts: 23
University: BinghamtonUniversity
Re: size of the runing file of the superconducting gap
Hi ilias-serifi,

1. For your fine k/q meshes it is normal to have ~300 Gb files.
2. The flag to change the step in "Progression iq (fine) = " is "restart_freq" which is default 100.

Best,
Hari Paudyal

Wed Nov 20, 2019 2:40 pm

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
Re: size of the runing file of the superconducting gap
Thanks you sir harry

best

Fri Nov 22, 2019 7:15 pm

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 38
University: Faculty of sc 'rbt'
Re: size of the runing file of the superconducting gap
Hello again dear users and experts
I'm confronting a new error in my calculation of superconducting gap

Code:

Fermi level (eV) =    -1.0778270134E+00
DOS(states/spin/eV/Unit Cell) =     9.9884365393E-01
Electron smearing (eV) =     5.0000000000E-03
Fermi window (eV) =     1.5000000000E+01
Nr k-points within the Fermi shell =      5000 out of      5000
8 bands within the Fermi window

Max nr of q-points =      5000

===================================================================================
=   PID 6297 RUNNING AT lphems-HP-Z620-Workstation
=   EXIT CODE: 9
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)
This typically refers to a problem with your application.
Please see the FAQ page for debugging suggestions

i will very thankful if you provides me the solution of this problem

Best Regards

Wed Nov 27, 2019 1:04 pm

Joined: Tue Mar 21, 2017 7:11 pm
Posts: 23
University: BinghamtonUniversity
Re: size of the runing file of the superconducting gap
Hi,

It looks like the problem occurred before reading 'ephmat' files. Is this the restart job? or continue after writing the 'ephmat' files? If you provide other information with inputes, I can say more about this.

Best,
Hari Paudyal

Mon Dec 02, 2019 10:23 pm
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