This is an old revision of the document!
Execute qcp2k 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.
EXAMPLE1 Enter input file (with .inp extension) test.inp 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 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 .inp extension) test.inp 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