![]() Move to the directory where you have your input scriptĪt the command prompt, type “ lmp_serial -in inputfile” When the installing complete, we install MPI based parallelism downloaded from the above link.Īfter saving the input script, to run LAMMPS simulations open a terminal window as outlined above and change to the directory with your input script and then run the command: , download the latest version and install to the work station or your CPU. In our case, we run simulation on a work station with Microsoft Window platform, then we choose window package: For installing LAMMPS, we access to LAMMPS download homepage: The input.txt file is used for running MD simulation with LAMMPS software. In order to have more understanding about these codes in or out of this study, we can access the LAMMPS-command section on LAMMPS homepage change group volume, or change lattice space distant (just only use this way when the objective materials is in amorphous phase that have no relationship with initial set up lattice space constant)Īctually, every single LAMMPS command can be used in various different circumstances and purposes. ** There are couple ways to generate the bulk density of Argon in box, e.g. ![]() *The table utilized some information from LAMMPS website # - Run Minimization -įix 33 all ave/chunk 1 2000000 2000000 2 v_temp file temp20bin.profileĭump 2 all xyz 200 argon_150_10_model.xyzĭump 3 all custom 10000 Argon_HT_*.cfg id type x y zĮxplanations for the scripts in input.txt file respectively are shown as in the table below: # - Define Settings -Ĭompute 2 all chunk/atom bin/1d z lower 0.05 units reduced Velocity all create 150.0 3213112 mom yes rot yes dist gaussian ![]() First, we create an input.txt file which contains the script series below:
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