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. These commands must appear before all other input, and are used to customize the environment in which the Gaussian program runs. Bear in mind that this storage is not permanent, so you should aim to copy the checkpoint file to your home directory within a few days.