Forum EPWhttp://epwforum.uk/ size of the runing file of the superconducting gaphttp://epwforum.uk/viewtopic.php?f=6&t=1235 Page 1 of 1

 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 1000Best

 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 harrybest

 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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