Space Details:

Key	MXW
Name	Maxwell
Description
Created by	schluenz (Mar 07, 2021 18:33)

Available Pages:

Maxwell Cluster
- about
- Documentation
  - Access
    - FastX2 on (groups) Display nodes
    - FastX3 on Display nodes
      - FastX3 on Display nodes - Linux
    - Interactive Login
  - Container
    - Container Registry (experimental)
    - Docker
      - Creating a Docker image
      - Running a single job with Docker
      - *DEPRECATED* Running an MPI job with Docker *DEPRECATED*
    - micromamba EL9 container
  - Data Management
    - Transferring Data from and to Maxwell
      - curl and Sync&Share
      - rclone and desycloud
  - Getting started
  - HowTo
    - Julia
    - Jupyterlab with Visual Code
  - Jobs
    - Automatic job requeue
    - Automatic Restart after failure
    - FAQ
    - Groups
      - Maxwell for CFEL
      - Maxwell for CSSB
      - Maxwell for EuXFEL
      - Maxwell for HZG
      - Maxwell for PETRA4
      - Maxwell for PS
      - Maxwell for PS users
      - Maxwell for schools
      - Maxwell for XFEL
    - Partitions
    - Preemption
    - random samples
    - Running batch jobs
    - Running single core batch job
    - SLURM Rosetta
    - Useful commands
    - Workflows
      - Airavata
      - Airflow
      - Fireworks
      - GNU parallel
      - Nextflow
        
        Nextflow using apache ignite
        
        Nextflow using slurm
      - Swift
        
        Swift using slurm
  - Materials & Meetings
  - Photon Science Resources
  - Software Configuration on Maxwell
    - Getting Started with Parallel Computing using MATLAB on Maxwell
    - Gitlab runners for software deployment on Maxwell
- Infrastructure
  - Compute Infrastructure
    - Hardware in acc-uhh
    - Hardware in allcpu
    - Hardware in allcpu-el9
    - Hardware in allgpu
    - Hardware in cdcs
    - Hardware in cfel
    - Hardware in cfel-cdi
    - Hardware in cfel-cmi
    - Hardware in cfel-ux
    - Hardware in com
    - Hardware in cssb
    - Hardware in cssbgpu
    - Hardware in exfel
    - Hardware in exfel-spb
    - Hardware in exfel-th
    - Hardware in exfel-theory
    - Hardware in exfel-wp72
    - Hardware in fspetra
    - Hardware in grid
    - Hardware in hzg
    - Hardware in jhub
    - Hardware in liv
    - Hardware in livgpu
    - Hardware in maxcpu
    - Hardware in maxcpu-el9
    - Hardware in maxgpu
    - Hardware in mcpu
    - Hardware in mpa
    - Hardware in mpaj
    - Hardware in p06
    - Hardware in p10
    - Hardware in p11
    - Hardware in p11x
    - Hardware in petra4
    - Hardware in ponline
    - Hardware in ps
    - Hardware in psgpu
    - Hardware in psx
    - Hardware in short
    - Hardware in solcpu
    - Hardware in uhhxuv
    - Hardware in uke
    - Hardware in upex
    - Hardware in upex-beamtime
    - Hardware in upex-high
    - Hardware in upex-middle
    - Hardware in xfel-guest
    - Hardware in xfel-op
    - Hardware in xfel-sim
  - Infiniband Infrastructure
    - leaf switches
    - root switches
    - top switches
  - Storage Infrastructure
  - Monitoring
    - All Maxwell Nodes
    - Display Nodes
    - GPU Nodes
    - Login Nodes (WGS)
  - Benchmarks
    - Astra benchmarks
      - Astra benchmarks - ompi 1.6
    - Gromacs benchmark
    - Infiniband tests
    - miniforge tests
    - namd benchmarks
    - P11 benchmarks
    - Pelegant benchmark
    - relaxse
    - Serial crystallography benchmarks
  - Maxwell Aufbau
  - Files on the storage infrastructure
- Meeting notes
- Programming
  - Python
    - Conda/Mamba Python
      - conda environment in singularity/apptainer
      - Conda Environments Python 3.6
      - Conda Environments Python 3.8
      - Conda Environments Python 3.9
      - conda init
      - conda python slowness on BeeGFS
    - mpi4py
    - Python modules on Maxwell
    - System Python
    - Vanilla Python
- Science
  - Events
  - Publications
  - Science Highlights
- Security @ Maxwell
- Services
  - Conda environments
    - Available preinstalled conda environments
  - JupyterHub on Maxwell
    - Available Kernels
    - Configuring Jupyter Kernels
    - Installing python modules and kernels
    - Running jupyter notebooks in batch
    - Standalone jupyter-notebooks
  - SLURM Reservations
  - SLURM REST API
- Software
  - Applications
    - abinit
    - adxv
    - albula
    - alphafold
      - alphafold 2.0
      - alphafold 2.1.1L
        
        alphafold 2.1.1 - docker
      - Alphafold 2.2.0
      - Alphafold 2.2.2
      - Alphafold 2.3.2
      - alphafold simple recipes
      - alphapulldown
    - arp_warp
    - atompaw
    - atsas
    - autodock
    - balbes
    - blast
    - blender
    - BornAgain
    - ccp4
    - chimera
    - CMIstark
    - cns
    - comsyl
    - condor
    - conuss
    - cp2k
    - CrystFEL
    - dawn
    - DeepQMC
    - demon2k
    - dials
    - dioptas
    - DirAx
    - dpdak
    - elegant
    - elk
    - fasta
    - fdmnes
    - ffmpeg
    - fiji
    - firefly
    - FLUKA
    - gamess
    - gaussian
    - gbench
    - genesis
    - geopixe
    - gromacs
      - gromacs on Maxwell
    - hdf5
    - hdfview
    - hexrd
    - IceNine
    - ilastic
    - ImageD11
    - imod
    - Impact-Z
    - keras
    - lammps
    - Maud
    - mosflm
    - namd
    - nwchem
    - O
    - oasys
    - olex2
    - opal
    - openbabel
    - openfoam
    - openmolcas
    - openstructure
    - orca
    - PanDDA
    - phenix
    - platon
    - puffin
    - pyfabio
    - pyFAI
    - pyMca
    - pynx
    - pytorch
    - qchem
    - QuantumEspresso
    - quanty
    - rapids
    - RF2NA
    - rosetta
    - rosettafold
    - sasfit
    - scikit-image
    - scikit-learn
    - shelx
    - spark
    - srw
    - TensorFlow
    - tomopy
    - vmd
    - XChemExplorer
    - xcrysden
    - xds
    - xdsapp
    - xdsgui
    - xia2
    - xmimsim
    - xop
    - xrt
  - Categories
    - Artificial Intelligence
    - Computational Chemistry
    - Molecular Modeling and Dynamics
    - Photon Science
      - Crystallography
      - Small Angle Scattering
      - Tomography
    - Simulation
      - Wakefield Acceleration
        
        fbpic
        
        warpx
    - Structural Biology
    - Utilities
    - Visualization
  - Libraries
    - alpaka
    - atlas
    - blacs
    - blas
    - elpa
    - llama
    - scalapack
    - scotch
  - test page