Gaussian 98 Gaussian 98 is a connected series of programs for performing semi-empirical, density functional theory and ab initio molecular orbital calculations. The modules package controls access to software. Other versions of the Gaussian program that are installed are shown below. The table also indicates the current default version on each platform. Maximum cpu time required, defaults to 3600 seconds.
Valid options are low , regular , debug , or premium .
No. of processors to be used via Linda for parallel operation. Recommend between 2 and 64 depending on the size of the system. 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.