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torque-gaussian-scripts's Introduction

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submit example.com 5 generates a PBS file to run Gaussian job example.com, demanding 5 hours of walltime. Processors and memory requirements are read from example.com and the generated PBS file is automatically submitted to the job queue.

q can be used to continuously monitor the job queue. Under the hood it uses qsort and falls back to qstat if qsort is not available.

monitor is used to follow the progress of multiple running jobs. It recursively looks for and follows output in .out files found under the current working directory. Currently, it is meant to monitor geometry optimization jobs.

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