wiki.chpc.ac.za

Execute qesp_gcc or qesp_intel on login node and follow the prompts. This script handles PBS setup and submission. Sets up the mpi environment variables allowing you to run over multiple processors and nodes.

                 
                 EXAMPLE1
Enter input file (with .in extension)
test.in
Enter number of nodes on which to run job
1
Enter number of processors per node
12
Enter total walltime (hour:minute:second)
2:00:00
Enter name of queue on which to run job
workq
Is this a pw (Plane wave) or cp (Car–Parrinello) simulation?
pw
Generated pbs file for test
Do you wish to submit job to cluster (y/n)
y

  EXAMPLE2 [PLEASE TAKE NOTE OF EMPTY SPACES]
Enter input file (with .in extension)
test.in
Enter number of nodes on which to run job

Enter number of processors per node

Enter total walltime (hour:minute:second)

Enter name of queue on which to run job

Generated pbs file for test
Do you wish to submit job to cluster (y/n)
y