6.2. xtp_parallel¶

6.2.1. help¶

6.2.1.1. NAME¶

xtp_parallel - Part of the VOTCA package

6.2.1.2. SYNOPSIS¶

xtp_parallel [OPTIONS]

xtp_parallel [–help]

6.2.1.3. DESCRIPTION¶

Runs job-based heavy-duty calculators

6.2.1.4. OPTIONS¶

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)