MedeA’s JobServer & TaskServer - Indispensable for High Performance Computing


MedeA’s ®[1] JobServer & TaskServer is the central unit to manage, monitor, and archive your calculations efficiently and consistently. Thanks to the MedeA’s JobServer & TaskServer, a highly flexible workflow maximizes productivity, even on systems with heterogeneous hardware, and different operating systems.

Key Benefits

  • Automated processing of compute protocols and workflows
  • Machine driven post-processing and results analysis of calculations with the following compute engines: VASP, LAMMPS, GIBBS, MOPAC, and GAUSSIAN
  • Robust leveraging of compute resources from small-sized clusters to high performance computing systems
  • Reliable long-term archiving and accounting of computed data

MedeA has a unique three-tiered architecture: The MedeA GUI as the top tier, the JobServer as the middle tier, and the TaskServer as the bottom tier.


For smaller compute clusters, easily install a single central JobServer on a dedicated machine, and install TaskServers on the compute nodes. With this setup, submit calculations from one or more computers, which have the MedeA GUI’s installed. MedeA’s JobServer & TaskServer have web interfaces to manage and monitor jobs, and restrict access if necessary.


Use the JobServer & TaskServer as a gateway for high performance computing in computer centers or the cloud. The JobServer & TaskServer support the most common load balancing systems such as SLURM, PBS/Torque, and GridEngine.


’*MedeA’s* JobServer and TaskServer automatically and reliably process your jobs and calculations while you are thinking about your next groundbreaking innovation in materials science.’


  • MedeA’s JobServer & TaskServer require a 64-bit Intel or AMD architectures, and can be driven by various Windows or Linux operating systems.
    • Windows Server 2008/2012/2016, Windows 7/8/10
    • Linux: CentOS, Redhat, Debian , Fedroa , SuSE , Ubuntu , Oracle
  • Memory requirements: 1-4 GB RAM per compute core
  • Hard Drive space:
    • 5 GB minimum for a full MedeA installation
    • 60-180 GB for storing user generated data
  • Supported queuing (load balancing) systems are:
    • PBS/Torque
    • SLURM
    • GridEngine
    • LSF
    • Windows HPC

Key Features

  • Compute Management
    • Automated processing of compute protocols and workflows
    • Web interface designed for on-the-fly job monitoring: hold/resume, restart, etc.
    • Flexible administration of computer resources, even in heterogeneous systems
    • Developed for multi-user operation
  • Results & Data Management
    • Quick job search filters for users, status, title, and date
    • Efficient and consistent accounting of jobs and relevant files
    • Job index in an SQLite database while data is stored on disk
    • Full access to all input and output files for authorized users
    • Share results and workflows with a team
  • Security & Integrity
    • JobServer & TaskServer run as system services (daemons) for continuous access
    • Secure communication and access via HTTPS
    • User authentication restricts access and prohibits data vulnerability
  • Maintenance
    • JobServer updates and maintenance are possible without interrupting running calculations
    • Easy exchange of jobs and data between JobServers

Required Modules

  • MedeA Environment

Tightly Integrated Modules

  • MedeA Interface Builder
  • MedeA VASP
  • MedeA MOPAC
  • MedeA Gaussian GUI
  • MedeA GIBBS
  • MedeA EAM
  • MedeA Phonon
  • MedeA Transition State Search
  • MedeA MT
  • MedeA UNCLE
  • MedeA HT-Launchpad
  • MedeA HT-Descriptor
  • MedeA Forcefield Optimizer
  • MedeA Diffusion
  • MedeA Thermal Conductivity
  • MedeA Viscosity
  • MedeA CED
  • MedeA Surface Tension
  • MedeA Electronics

Supported Modules

  • All MedeA modules

Find Out More

Learn more about submitting and monitoring computations in the MedeA Environment from our Webinar:

[1]MedeA and Materials Design are registered trademarks of Materials Design, Inc.