ifd Command Help

Command: $SCHRODINGER/ifd

Usage: $SCHRODINGER/ifd [options] <jobname>.{inp,restart}

Options:
  -v, -version        Show the program's version and exit.
  -h, -help           Show this help message and exit.
  -SUBHOST <host>     Run the subjobs on the specified host. Overwrites the
                      SUBJOB_HOST keyword in the input file.
  -NGLIDECPU <N>      The maximum number of Glide jobs to run simultaneously.
                      Overwrites the NUM_GLIDE_CPUS keyword in the input file.
  -NPRIMECPU <N>      The maximum number of Prime jobs to run simultaneously.
                      Overwrites the NUM_PRIME_CPUS keyword in the input file.
  -REMOVE_WORKDIR     Remove the working directory upon completion
  -CLEANUP            Remove intermediate structure files on the fly
  -OVERWRITE          Start an aborted job over from the beginning
  -NOLOCAL            Force the driver to run in a local temp directory (no
                      restartability). If specifying -HOST to a remote host,
                      -NOLOCAL should also be used.

  Job Control Options:
    -HOST <hostname>  Run job remotely on the indicated host entry.
    -WAIT             Do not return a prompt until the job completes.
    -D, -DEBUG        Show details of Job Control operation.
    -SAVE             Return zip archive of job directory at job completion.
    -NOJOBID          Run the job directly, without Job Control layer.

  Standard Options:
    -STRICT           Terminate the job if any subjob dies.
    -RETRIES RETRIES  If a subjob fails for any reason, it will be retried
                      RETRIES times. (Default: 2)
    -RESTART          Restart a previously failed job, utilizing any already
                      completed subjobs.