hpc at hcc jun wang outline of workshop2 familiar with linux file system familiar with shell...

HPC at HCCJun Wang

hcc.unl.edu

Outline of Workshop2

Familiar with Linux file system

Familiar with Shell environment

Familiar with module command

Familiar with queuing system

How to submit a serial job

How to submit a MPI parallel job

HPC at HCCJun Wang

hcc.unl.edu

Familiar with Linux file systemBasic File System Structure Basic File System Partitions

On tusker and sandhills:$HOME (/home) is read-only on computing nodes, 10 GB space/group, daily backup$WORK (/work) is writable on all nodes, 50 TB space/group, no backup

HPC at HCCJun Wang

hcc.unl.edu

Familiar with BASH Shell environment

HPC at HCCJun Wang

hcc.unl.edu

Familiar with module command

HPC at HCCJun Wang

hcc.unl.edu

Familiar with module command

HPC at HCCJun Wang

hcc.unl.edu

Familiar with queuing system-PBS

HPC at HCCJun Wang

hcc.unl.edu

Familiar with queuing system-SLURM

HPC at HCCJun Wang

hcc.unl.edu

How to submit a serial job

HPC at HCCJun Wang

hcc.unl.edu

How to submit a serial job

HPC at HCCJun Wang

hcc.unl.edu

How to submit a MPI parallel job

HPC at HCCJun Wang

hcc.unl.edu

How to submit a MPI parallel job

HPC at HCCJun Wang

hcc.unl.edu

More useful SLURM commands“sinfo” : Check available partitions and their status

HPC at HCCJun Wang

hcc.unl.edu

More useful SLURM commands“scontrol show job YourJobID”: Check details of a specific job

HPC at HCCJun Wang

hcc.unl.edu

How to run Gaussian09How to compile and run GAMESS

How to compile and run GROMACS

Thank You!

To be continued: