Installing QUANTUM ESPRESSO on UBUNTU

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  • Опубліковано 3 січ 2025

КОМЕНТАРІ • 16

  • @mine3493
    @mine3493 8 місяців тому

    Very informative and explained at the grassroot... 🙌🏻✨️🔥
    Thank You sir✨️.
    Expecting more informative videos

  • @sidharthns4859
    @sidharthns4859 8 місяців тому +1

    Nice bro keep going ❤

  • @fardeenmuhammed52
    @fardeenmuhammed52 8 місяців тому

    All the best sooraj sir

  • @komkritrientong5963
    @komkritrientong5963 5 місяців тому

    Thank you very much. This is very useful video.

  • @onthetruthitself8560
    @onthetruthitself8560 8 місяців тому

    Thank you sir.. Very informative..

  • @RayyanPhotos-vn4tg
    @RayyanPhotos-vn4tg 8 місяців тому

    Thank you sir
    Its helps me lot

  • @Samuel_Flores_Garcia
    @Samuel_Flores_Garcia Місяць тому

    Thanks

  • @altafhusain6535
    @altafhusain6535 Місяць тому

    For 8 atoms system and magnetic properties calculation, also applying strain in system how much spacification CPU is required? Please reply me Sir

    • @nhaloorsooraj
      @nhaloorsooraj  Місяць тому

      I suggest you should try this on a HPC

  • @mohsinali6629
    @mohsinali6629 6 місяців тому

    how to run quantam espresso in parallal???

    • @nhaloorsooraj
      @nhaloorsooraj  6 місяців тому

      For that you could use mpirun or mpiexec.
      mpirun -np
      Example :
      mpirun -np 16 pw.x -inp nacl.in > output.out

  • @ARCHANAHOTA-f1d
    @ARCHANAHOTA-f1d 7 місяців тому

    while make all, in my case
    make[2]: *** No rule to make target '/home/amritendu/SOFTWARE/qe//MBD/libmbd.a', needed by 'pw.x'. Stop.
    make[2]: Leaving directory '/home/amritendu/SOFTWARE/qe/PW/src'
    make[1]: *** [Makefile:9: pw] Error 1
    make[1]: Leaving directory '/home/amritendu/SOFTWARE/qe/PW'
    make: *** [Makefile:71: pw] Error 1
    these errors are coming. Please help me out.

    • @nhaloorsooraj
      @nhaloorsooraj  7 місяців тому

      Did you install all the dependencies? The path seems to be incorrect or the file may not be present there. Please check whether the file " libmbd. a " is present in the specified path. (For further queries you can mail me at soorajnhaloor123@gmail.com