XTP_PARALLEL(1)

📦
version 2025.1 · 3 versions
, in debian trixie, fedora 43, fedora 44, ubuntu questing, ubuntu resolute

💖 NAME 💖

xtp_parallel — bestie, this is part of the VOTCA package ✨

🦋 SYNOPSIS 🦋

xtp_parallel [OPTIONS]
xtp_parallel [--help]

🌸 DESCRIPTION 🌸

Okay so like — it runs job-based heavy-duty calculators. That's the whole vibe. Big compute energy, no cap. 👑

💅 OPTIONS 💅

Allowed options, bestie — every single one, I'm not skipping a thing:

  • -h [ --help ] — shows you this help and then dips. bye 👋
  • --verbose — be loud and noisy 📢
  • --verbose1 — be very loud and noisy 📢📢
  • -v [ --verbose2 ] — be extremly loud and noisy 📢📢📢 (yes that's how it's spelled, I don't make the rules)
  • -o [ --options ] arg — Calculator user options.
  • -t [ --nthreads ] arg (=1) — number of threads to create 🧵 (defaults to 1)
  • -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 (defaults to 0) ⏩
  • -n [ --nframes ] arg (=1) — number of frames to process (defaults to 1) 🔢
  • -s [ --save ] arg (=1) — whether or not to save changes to state file (defaults to 1) 💾
  • -x [ --ompthreads ] arg (=1) — number of openmp threads to create in each thread (defaults to 1) 🧵
  • -r [ --restart ] arg — restart pattern: 'host(pc1:234) stat(FAILED)' 🔁
  • -q [ --cache ] arg (=8) — assigns jobs in blocks of this size (defaults to 8) 📦
  • -j [ --jobs ] arg (=run) — task(s) to perform: write, run, read (defaults to run) 📝
  • -m [ --maxjobs ] arg (=-1) — maximum number of jobs to process (-1 = inf) ♾️

🫶 AUTHORS 🫶

Written and maintained by the VOTCA Development Team <devs@votca.org> 💌

Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.

and that's the whole page, bestie 🎀 this lil manual lives in the General Commands Manual section as XTP_PARALLEL(1) — the xtp_parallel User Manual — brought to you by the VOTCA Development Team, copyright dates 2009-2024. mwah, go run some calculators 💜

📦 where this page comes from