Difference between revisions of "LAMMPS Guide"
(→Unloading a LAMMPS Module)
Revision as of 10:44, 9 September 2015
LAMMPS is a program for simulating large scale atomic / molecular dynamics leveraging parallel hardware.
Check Module Availability
To see which LAMMPS modules are available to the system, use the following command:
$ module avail lammps
You should see all available modules in
----------------------- /apps2/Modules/3.2.6/modulefiles ----------------------- lammps/1Feb14 lammps/23Sep13 lammps/28Jun14 lammps/28Jun14MoS2
If the module list is empty please contact your administrators.
Loading a LAMMPS Module
You can load the default LAMMPS module as follows:
$ module load lammps
To see which version is being used, do the following:
$ which lammps /apps2/lammps/28Jun14MoS2/bin/lammps
If your program needs a specific versin e.g.,
lammps/28Jun14, do the following:
$ module load lammps/28Jun14
After you load a module you can use it until you log out; you will need to load it again the next time you log in and run your program.
Automatically Loading a LAMMPS Module
If you frequently use a particular module (which is usual) you can do the following:
$ module initadd lammps
Or, if you need a specific version,
$ module initadd lammps/28Jun14
Note that this auto-loading of the module will start from your next login session. Therefore if you need the module at the present session you will need to load the module using the
module load command.
Unloading a LAMMPS Module
You can unload an already-loaded module as follows:
$ module unload lammps
Or, to unload a specific version,
$ module unload lammps/28Jun14
To make sure that a module is unloaded, use the command
which lammps which should say
/usr/bin/which: no lammps in ...