chemicalchecker.util.hpc

Submit jobs to an HPC cluster.

A lot of processes in this package are very computationally intensive. This class allows to send any task to any HPC environmment. According to the config parameters this class will send the job in the right format to the specified queueing technology. The support queing system are:

• SGE: sge for Sun Grid Engine

• SLURM: slurm for Slurm Workload

• SLURM: slurm_gpu for Slurm Workload using GPU server Manager

• local: local for local processes.

chemicalchecker.util.hpc.hpc	HPC factory.
chemicalchecker.util.hpc.local	Run job in local system.
chemicalchecker.util.hpc.sge	Submit jobs to an HPC cluster through SGE queueing system.
chemicalchecker.util.hpc.slurm	Submit jobs to an HPC cluster through SLURM queueing system.
chemicalchecker.util.hpc.slurm_gpu	Submit jobs to an HPC cluster through SLURM queueing system.
chemicalchecker.util.hpc.test_script