Tags: tool:lammpstool

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  1. undefined method 'include?' error

    Closed | Responses: 0

    I keep getting this error, and I have tried running many different simulations.

    Error: undefined method 'include?' 

    Command file:

    #LAMMPS Input file...


  2. pair_style AIREBO error

    Closed | Responses: 1

    I am running a minimization code using the AIREBO pair style and i keep getting an error that this pair style is illegal , 

    how can I solve this issue ? 


  3. LAMMPS Run

    Closed | Responses: 0

    I tried to do a trial run on the LAMMPS tool that involves the Airebo potential. I initially uploaded my input script and data files and got an error about not being able to read the potential...


  4. How do I run the example Si in.elastic test example in the nanohub Lammps tool

    Closed | Responses: 1

    The example for elastic stress that comes with lammps uses...:  in.elastic and init.mod and potential.mod and displacement.mod and Si.wc files. How do I run this 'simple'...


  5. Parallel run is failing. Can you check if everything is alright. I have one data file and one potential file in my run.

    Closed | Responses: 0


  6. Is there a way to add voronoi/atom compute to lammps?

    Closed | Responses: 1

    I am trying to monitor the average stress on each atom as a graphene sheet gets pulled apart. I planned on doing this by dividing the force on each atom by the volume of the atoms. However the...


  7. Tabulting potencial LAMMPS

    Closed | Responses: 1


    I have a potential for a molecule which depends on (r, theta, phi), also at different part cell has different variable, is it possible to tabulate such potential in...


  8. The results of nanohub hpc are diffrent from the results of my pc . Is nanohub hpc trustable?

    Closed | Responses: 2


  9. How can I run my lammps input script?

    Closed | Responses: 1

    How can I run my lammps input script? There is no option to upload potential file.


  10. I am getting undefined code include error while running lammps tool

    Open | Responses: 1

    While simulating simple water, i am getting error "undefined term include ".

    Program exit code 1

    my complete command file is as follows

    # Bulk Water LAMMP...


  11. Parallel calculation doesn’t work, please check it.

    Open | Responses: 1


  12. where are data files saved? such as data saved with fix ave/time command.

    Open | Responses: 1


  13. Error message: Can’t find file log.lammps

    Closed | Responses: 1

    I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...