Running GAMESS

GAMESS contains parallel code that utilizes its own built in messaging system (i.e. doesn't use mpi libraries). A separate parallel environment has been set up to restrict the requested number of slots to be on a single node. This maintains a high speed of inter-process communication that otherwise would slow down if communication had to pass over the network.

The typical way to run a cluster job is to create a folder where everything pertaining to that job will be located. This helps to organize job data. Place your input file within this folder. It must be of the format: inputFile.inp, otherwise the program will not run. Then create your job script, use the following as an example: