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ChijiokeMokogwu (talkcontribs)

I have challenges in running Quantum Espresso. An Example command for my project (mpirun -np 4 pw.x < HfPtPb.scf.in > HfPtPb.scf.out) does not run. Secondly the step-by-step documentation online does not work. Please help me out.

KogenceSupport (talkcontribs)

@ChijiokeMokogwu,

Easiest way to get started with Kogence is to fork/copy an existing model and then modify the input file.

Take a look at this model for example: Band structure and charge density in 110 plane of Si

First, you dont need to wrap commands with MPI. We take care off MPI, OMP, Job scheduling etc automatically.

Secondly, on kogence, we provide input to quantum espresso as a shell script. Look at the Files tab of the above mode https://kogence.com/app/jobs/files/view/-316%5EBand_structure_and_charge_density_in_110_plane_of_Si%5E-1983582855%5Erun_example.sh

Take your input file and paste it between line 90 and 130.

You might have to change a paths and/or names of pseudopotentials etc.

Let me know if you have any further question.

ChijiokeMokogwu (talkcontribs)

Give me another 2 hours

KogenceSupport (talkcontribs)

@ChijiokeMokogwu

Is your issue resolved?

ChijiokeMokogwu (talkcontribs)

Let me say this. My problem has been resolved. A big that to Kogence and you all who help out. I am grateful. Kogence especially has made history, over here in Nigeria where I am from. I want to say thank you

ChijiokeMokogwu (talkcontribs)

Also thank Mukal, I would not have done it without you.