Jun Wang hccunledu 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 ID: 279482
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Slide1
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 jobSlide2
HPC at HCCJun Wang
hcc.unl.edu
Familiar
with Linux file system
Basic 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 backupSlide3
HPC at HCCJun Wang
hcc.unl.edu
Familiar with
BASH Shell
environmentSlide4
HPC at HCCJun Wang
hcc.unl.edu
Familiar
with module commandSlide5
HPC at HCCJun Wang
hcc.unl.edu
Familiar
with module commandSlide6
HPC at HCCJun Wang
hcc.unl.edu
Familiar with queuing
system-PBSSlide7
HPC at HCCJun Wang
hcc.unl.edu
Familiar with queuing
system-SLURMSlide8
HPC at HCCJun Wang
hcc.unl.edu
How to submit a serial jobSlide9
HPC at HCCJun Wang
hcc.unl.edu
How to submit a serial jobSlide10
HPC at HCCJun Wang
hcc.unl.edu
How to submit a
MPI parallel
jobSlide11
HPC at HCCJun Wang
hcc.unl.edu
How to submit a
MPI parallel
jobSlide12
HPC at HCCJun Wang
hcc.unl.edu
More useful SLURM commands
“
sinfo
” : Check available partitions and their statusSlide13
HPC at HCCJun Wang
hcc.unl.edu
More useful SLURM commands
“
scontrol
show job
YourJobID
”: Check details of a specific jobSlide14
HPC at HCCJun Wang
hcc.unl.edu
How to run Gaussian09
How to
compile and run
GAMESS
How to
compile and run
GROMACS
Thank You!
To be continued: