Description:Front-end script for submitting multiple GAMESS-US jobs
Abstract:Scan the specified INPUT directories recursively for ’.inp’ files, and submit a GAMESS job for each input file found; job progress is monitored and, when a job is done, its ’.out’ and ’.dat’ file are retrieved back into the same directory where the ’.inp’ file is (this can be overridden with the ’-o’ option). The `ggamess` command keeps a record of jobs (submitted, executed and pending) in a session file (set name with the ’-s’ option); at each invocation of the command, the status of all recorded jobs is updated, output from finished jobs is collected, and a summary table of all known jobs is printed. New jobs are added to the session if new input files are added to the command line. Options can specify a maximum number of jobs that should be in ’SUBMITTED’ or ’RUNNING’ state; `ggamess` will delay submission of newly-created jobs so that this limit is never exceeded.
ggamess is written using GC3Pie library. It can submit jobs to cloud infrastructure exposing Amazon EC2 interfaces as well as OpenStack native APIs. It can, additionally, submit jobs to ARC sites as well as SGE controlled clusters.