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

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HPC at HCC Jun 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

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HPC at HCC Jun Wang Familiar with BASH Shell environment

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Page 1: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

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

Page 2: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

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

Page 3: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

Familiar with BASH Shell environment

Page 4: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

Familiar with module command

Page 5: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

Familiar with module command

Page 6: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

Familiar with queuing system-PBS

Page 7: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

Familiar with queuing system-SLURM

Page 8: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

How to submit a serial job

Page 9: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

How to submit a serial job

Page 10: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

How to submit a MPI parallel job

Page 11: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

How to submit a MPI parallel job

Page 12: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

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

Page 13: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

HPC at HCCJun Wang

hcc.unl.edu

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

Page 14: HPC at HCC Jun Wang Outline of Workshop2 Familiar with Linux file system Familiar with Shell environment Familiar with module command Familiar with queuing

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: