Writing your own Loadleveler script If you prefer to write your own Loadleveler script, rather than have llgauss generate one, the following is a useful template. Use g98l to start the Linda version of Gaussian. Job name for NQS, defaults to name of the input file less the extension. Defaults to 15Gb. Maximum cpu time required, defaults to 3600 seconds.
Valid options are low , regular , or premium .
This is not generally recommended as NQE will pick the least loaded machine by default. Valid options are batchb , batchf , or batchs . Writing your own NQS script If you prefer to write your own NQS script, rather than have qgauss generate one, the following is a useful template. See Restart section below for more details. These files will be lost after the job completes.