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

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

HPC at HCC Jun Wang Familiar with BASH Shell environment

HPC at HCC Jun Wang Familiar with module command

HPC at HCC Jun Wang Familiar with module command

HPC at HCC Jun Wang Familiar with queuing system-PBS

HPC at HCC Jun Wang Familiar with queuing system-SLURM

HPC at HCC Jun Wang How to submit a serial job

HPC at HCC Jun Wang How to submit a serial job

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

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

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

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

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: