Saturday, July 14, 2018

LAMMPS Input file Running on HPC Cluster

I have created batch_submit.sh file in my home (rs0043) to submit my input files into the cluster node (sp0045). compilers are loaded accordingly. and then I submit the input file named as in.sp.0.001.mp by using the following command

lmp_serial<in.sp.0.001.mp

For multiple file submission by a single batch_submit I have used batch_submit_all_20.sh where I have created few variables those are substituted by desired values by running the bash file named multijob_within_script_for_multijob. This bash file is self-explanatory and it is run by the following command,

sh multijob_within_script_for_multijob


DONE.