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 system How to submit a serial job How to submit a MPI parallel job

2. HPC at HCC Jun Wang Familiar with Linux file system Basic File System StructureBasic 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

3. HPC at HCC Jun Wang Familiar with BASH Shell environment

4. HPC at HCC Jun Wang Familiar with module command

5. HPC at HCC Jun Wang Familiar with module command

6. HPC at HCC Jun Wang Familiar with queuing system-PBS

7. HPC at HCC Jun Wang Familiar with queuing system-SLURM

8. HPC at HCC Jun Wang How to submit a serial job

9. HPC at HCC Jun Wang How to submit a serial job

10. HPC at HCC Jun Wang How to submit a MPI parallel job

11. HPC at HCC Jun Wang How to submit a MPI parallel job

12. HPC at HCC Jun Wang More useful SLURM commands “sinfo” : Check available partitions and their status

13. HPC at HCC Jun Wang More useful SLURM commands “scontrol show job YourJobID”: Check details of a specific job

14. HPC at HCC Jun Wang How to run Gaussian09 How to compile and run GAMESS How to compile and run GROMACS Thank You! To be continued: