NAME **** **xtp_parallel** - Part of the VOTCA package SYNOPSIS ******** **xtp_parallel** [OPTIONS] **xtp_parallel** [--help] DESCRIPTION *********** Runs job-based heavy-duty calculators OPTIONS ******* .. highlight:: none :: Allowed options: -h [ --help ] display this help and exit --verbose be loud and noisy --verbose1 be very loud and noisy -v [ --verbose2 ] be extremly loud and noisy -o [ --options ] arg Calculator user options. -t [ --nthreads ] arg (=1) number of threads to create -e [ --execute ] arg Name of Calculator to run -l [ --list ] Lists all available Calculators -d [ --description ] arg Short description of a Calculators -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c xmltag.subtag=value'. Use whitespace to separate multiple options -p [ --printoptions ] arg Prints xml options of a Calculator -f [ --file ] arg hdf5 state file, *.hdf5 -i [ --first-frame ] arg (=0) start from this frame -n [ --nframes ] arg (=1) number of frames to process -s [ --save ] arg (=1) whether or not to save changes to state file -x [ --ompthreads ] arg (=1) number of openmp threads to create in each thread -r [ --restart ] arg restart pattern: 'host(pc1:234) stat(FAILED)' -q [ --cache ] arg (=8) assigns jobs in blocks of this size -j [ --jobs ] arg (=run) task(s) to perform: write, run, read -m [ --maxjobs ] arg (=-1) maximum number of jobs to process (-1 = inf)