Lammps installation

Dear all,

I installed lammps in linux but Iam not sure if it is installed correctly. How can I find out that it works? And, If it is installed, what is the first step of running a simulation in lammps?
Thank you very much.
Regards,

-Maryam

Dear all,

I installed lammps in linux but Iam not sure if it is installed correctly.
How can I find out that it works?

​try running some of the example inputs bundled with LAMMPS.​

And, If it is installed, what is the first step of running a simulation in
lammps?

​read the documentation, check out the tutorials, study the examples, ​

​axel.​

Hi Maryam,

I am also a new user and found getting started somewhat daunting.

Did you compile LAMMPS form source or did you nistall using a package manager (binary)?

The instructions at http://lammps.sandia.gov/doc/Section_start.html#running-lammps seem to based on the former and give the command line name as “lmp_linux”.

I installed the precompiled binaries for Fedora and mine is “lmp_g++” but otherwise the same.

With this default installation, the examples are found on my machine at /usr/share/lammps/examples/ where each example has its own folder.

I made a copy of the examples I was interested in and placed in my own folders to allow for editing (read/write).

From the LAMMPS tutorials listing (http://lammps.sandia.gov/tutorials.html) there is a presentation on examples (http://lammps.sandia.gov/tutorials/italy14/italy_examples_Mar14.pdf) which should help you identify which examples are relevant to you.

Examples are documented here: http://lammps.sandia.gov/doc/Section_example.html , but here is a quick summary/example for you to check if things are running:

In the folder for the example of interest, e.g. “crack” there is an input file that you can run at the command line (see first hyperlink, format is “lmp_linux < in.file”, so here, for me, it would be “lmp_g++ < in.crack”)

After that, studying the input file (“in.crack” here) and searching the documentation for the individual commands should get you started on understanding the file and how it all works.

This is the link to the input script documentation: http://lammps.sandia.gov/doc/Section_commands.html

Hi Maryam,
I am also a new user and found getting started somewhat daunting.

Did you compile LAMMPS form source or did you nistall using a package
manager (binary)?
The instructions at
LAMMPS Molecular Dynamics Simulator seem to based
on the former and give the command line name as "lmp_linux".
I installed the precompiled binaries for Fedora and mine is "lmp_g++" but
otherwise the same.

With this default installation, the examples are found on my machine at
/usr/share/lammps/examples/ where each example has its own folder.
I made a copy of the examples I was interested in and placed in my own
folders to allow for editing (read/write).

From the LAMMPS tutorials listing (LAMMPS Molecular Dynamics Simulator)
there is a presentation on examples
(LAMMPS Molecular Dynamics Simulator) which
should help you identify which examples are relevant to you.

Examples are documented here:
LAMMPS Molecular Dynamics Simulator , but here is a quick
summary/example for you to check if things are running:
In the folder for the example of interest, e.g. "crack" there is an input
file that you can run at the command line (see first hyperlink, format is
"lmp_linux < in.file", so here, for me, it would be "lmp_g++ < in.crack")

one important recommendation. you'll find in quite a few places that
people use i/o redirection to read input files. it does usually work,
but it is a legacy feature and habit that hails back from the olden
days of fortran where there was no standard way to access command line
flags. using i/o redirection has multiple disadvantages (most are too
technical to warrant a detailed explanation here) and will lead to
very confusing and unexpected behavior in case you encounter them and
i strongly recommend to use the -in flag instead.

thus you should use: "lmp_linux -in in.file" or "lmp_g++ -in in.crack".

axel.