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size of the runing file of the superconducting gap
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Author:  ilias-serifi [ Mon Nov 18, 2019 5:40 pm ]
Post subject:  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

Author:  hpaudya1 [ Tue Nov 19, 2019 9:48 pm ]
Post subject:  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

Author:  ilias-serifi [ Wed Nov 20, 2019 11:33 am ]
Post subject:  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

Author:  ilias-serifi [ Wed Nov 20, 2019 11:37 am ]
Post subject:  Re: size of the runing file of the superconducting gap

in addition i have 2 atoms in my system



best regard sir

Author:  ilias-serifi [ Wed Nov 20, 2019 12:24 pm ]
Post subject:  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

Author:  hpaudya1 [ Wed Nov 20, 2019 2:40 pm ]
Post subject:  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

Author:  ilias-serifi [ Fri Nov 22, 2019 7:15 pm ]
Post subject:  Re: size of the runing file of the superconducting gap

Thanks you sir harry


best

Author:  ilias-serifi [ Wed Nov 27, 2019 1:04 pm ]
Post subject:  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:
    Finish reading .freq file

                  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


     Finish reading .egnv file


     Max nr of q-points =      5000


     Finish reading .ikmap files


===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   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

Author:  hpaudya1 [ Mon Dec 02, 2019 10:23 pm ]
Post subject:  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

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