# Quantum Mobile ## What is Quantum Mobile Quantum Mobile is a Virtual Machine for computational materials science. Quantum Mobile provides a uniform environment for quantum mechanical materials simulations. Simulation codes are set up and ready to be used either directly or through the [AiiDA](http://www.aiida.net) python framework for automated workflows and provenance tracking. Open source throughout : Based on [Ubuntu Linux](http://releases.ubuntu.com/18.04/) Pre-built images : Available for Linux, MacOS or Windows computers, using VirtualBox. Or deploy on cloud services like OpenStack or Amazon Elastic Compute Cloud using [ansible](https://www.ansible.com/). Simulation codes pre-installed : [Abinit](https://www.abinit.org), [BigDFT](http://www.bigdft.org), [CP2K](https://www.cp2k.org), [Fleur](http://www.flapw.de/), [Quantum ESPRESSO](http://www.quantum-espresso.org/), [Siesta](https://gitlab.com/siesta-project/siesta), [Wannier90](http://www.wannier.org), [Yambo](http://www.yambo-code.org/), together with [AiiDA](http://www.aiida.net/), [JupyterLab](https://jupyterlab.readthedocs.io), and the [AiiDAlab](https://www.materialscloud.org/aiidalab/) Jupyter environment. Tools pre-installed : atomistic (xcrysden, jmol, cif2cell, ase, pymatgen, seekpath, spglib, pycifrw), visualization (grace, gnuplot, matplotlib, bokeh, jupyter), simulation environment (slurm, OpenMPI, FFT/BLAS/LAPACK, gcc, gfortran, singularity). Modular setup : with individually tested [ansible roles](https://galaxy.ansible.com/marvel-nccr). Build your own flavour tailored to your use case. ```{list-table} * - [![abinit](_static/software_logos/abinit.svg)](https://www.abinit.org) - [![bigdft](_static/software_logos/bigdft.png)](http://www.bigdft.org) - [![cp2k](_static/software_logos/cp2k.png)](https://www.cp2k.org) - [![fleur](_static/software_logos/fleur.png)](http://www.flapw.de/) - [![quantumespresso](_static/software_logos/quantumespresso.png)](http://www.quantum-espresso.org/) - [![siesta](_static/software_logos/siesta.png)](https://gitlab.com/siesta-project/siesta) * - [![wannier90](_static/software_logos/wannier90.png)](http://www.wannier.org) - [![yambo](_static/software_logos/yambo.png)](http://www.yambo-code.org/) - [![aiida](_static/software_logos/aiida.png)](http://www.aiida.net/) - [![postgres](_static/software_logos/postgres.png)](https://www.postgresql.org/) - [![rabbitmq](_static/software_logos/rabbitmq-text.png)](https://www.rabbitmq.com/) - [![slurm](_static/software_logos/slurm.png)](https://slurm.schedmd.com/) ``` ## Quantum Mobile Flavours Quantum Mobile VMs are built using a set of automated steps *via* [ansible](https://www.ansible.com/). You can [build a VM yourself](./developers/build-vagrant.md), or use one of the pre-built images: ```{panels} {fa}`desktop,mr-1` Desktop VirtualBox ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Comes with the familiar Ubuntu Desktop and runs on your Windows, MacOS or Linux computer using the [VirtualBox](http://virtualbox.org/) software. The Desktop Edition is tailored to provide students with a familiar working environment. +++ [**Download release**](releases/index.md) --- {fa}`cloud,mr-1` Cloud Image ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Intended for use on servers using cloud services like Amazon Web Services, Google Cloud, or OpenStack. The Cloud Edition targets advanced users who are familiar with the command line & SSH and prefer to run calculations on a remote server. +++ [**Download release**](releases/index.md) --- {fa}`cube,mr-1` Docker Image ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Intended for testing purposes. The Docker image provides a means to rapidly spawn a fully functioning Quantum Mobile instance, ideal for CI testing. +++ [**Download release**](https://hub.docker.com/r/marvelnccr/quantum-mobile) ``` QM Desktop Screenshot ## Testimonials ```{epigraph} Compared to [courses of] previous years, the overhead due to technical problems and misunderstandings has been greatly reduced. Quantum Mobile is absolutely the right tool to have. -- Stefaan Cottenier, [compmatphys.org](http://compmatphys.epotentia.com/) ``` ```{epigraph} Quantum Mobile is really a fantastic tool! I do think that it really gives a gigantic help for the organisation of Schools focusing on simulation codes. -- Andrea Marini, founder of the [Yambo code](http://www.yambo-code.org/) ``` ```{epigraph} We run a class on computational quantum mechanics and DFT where we have started using Quantum Mobile. Very useful and effective! -- Andrea Ferretti, Researcher [S3 Center, Istituto Nanoscienze, CNR](http://www.nano.cnr.it/) ``` Quantum Mobile has been used, amongst others, in the following schools and courses: - [Understanding Advanced Molecular Simulations](https://edu.epfl.ch/coursebook/en/understanding-advanced-molecular-simulation-CH-420) (2018, EPFL, Switzerland) - [Computational Methods in Molecular Quantum Mechanics](https://edu.epfl.ch/coursebook/en/computational-methods-in-molecular-quantum-mechanics-CH-452) (2018, EPFL, Switzerland) - [MolSim school](http://www.acmm.nl/molsim/molsim2019/) (2019, Amsterdam, Netherlands) - [Molecular and Materials Modelling](http://www.vvz.ethz.ch/Vorlesungsverzeichnis/lerneinheit.view?lerneinheitId=120724&semkez=2018S&ansicht=KATALOGDATEN&lang=en) (2018, ETH Zurich, Switzerland) - [Computational Materials Physics online course](https://compmatphys.org/) (University of Ghent, Belgium) - [Ethiopia School on Electronic Structure Methods](https://agenda.ethernet.edu.et/event/33/) (2019, Addis Ababa, Ethiopia) - [Computational School on Electronic Excitations in Novel Materials Using the Yambo Code](http://indico.ictp.it/event/9018/) (2020, Trieste, Italy) - [Wannier90 v3.0 school](https://www.materialscloud.org/learn/sections/C8ad91/wannier90-v3-0-school-virtual-edition-2020), virtual edition 2020 - [AiiDA tutorials](https://aiida-tutorials.readthedocs.io) in Switzerland, Italy, Slovenia, China, Japan, India, Norway, ... ```{list-table} --- header-rows: 0 --- * - [![cineca](_static/user_logos/cineca.png)](https://www.cineca.it/en) - [![epfl](_static/user_logos/epfl.png)](https://www.epfl.ch/en/) - [![ethz](_static/user_logos/ethz.png)](https://ethz.ch/en.html) - [![uni_ghent](_static/user_logos/uni_ghent.png)](https://www.ugent.be/en) - [![ictp](_static/user_logos/ictp.png)](https://www.ictp.it/) - [![jsi](_static/user_logos/jsi.png)](https://www.ijs.si/ijsw/JSI) - [![uni_iit-mandi](_static/user_logos/uni_iit-mandi.png)](http://www.iitmandi.ac.in/) - * - [![sintef](_static/user_logos/sintef.png)](https://www.sintef.no/en/) - [![uni_aas](_static/user_logos/uni_aas.png)](http://www.aau.edu.et/) - [![uni_amsterdam](_static/user_logos/uni_amsterdam.png)](https://www.uva.nl/en) - [![uni_dschang](_static/user_logos/uni_dschang.png)](https://www.univ-dschang.org/) - [![uni_tokyo](_static/user_logos/uni_tokyo.png)](https://www.u-tokyo.ac.jp/en/index.html) - [![uni_xiamen](_static/user_logos/uni_xiamen.png)](https://en.xmu.edu.cn/) - - ``` ## Acknowledgements This work is supported by the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en), as well as by the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598. ```{list-table} --- header-rows: 0 --- * - ![Marvel](_static/sponsor_logos/marvel.png) - ![MaX](_static/sponsor_logos/max_large.png) - ![SNF](_static/sponsor_logos/swissuniversities.png) ``` ```{toctree} :hidden: true releases/index.md ``` ```{toctree} :hidden: true :maxdepth: 1 :caption: Users users/launch.md users/use.md users/faq.md users/troubleshoot.md ``` ```{toctree} :hidden: true :maxdepth: 1 :caption: Developers developers/customize.md developers/build-vagrant.md developers/build-cloud.md developers/build-docker.md developers/roles.md ``` ```{toctree} :hidden: true :maxdepth: 1 :caption: Maintainers maintainers/develop.md maintainers/release.md ```