FedCloudBSIM2

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General Information

  • Status: Assessed
  • Start Date: 17-03-2014
  • End Date: -
  • EGI.eu contact: Nuno Ferreira / nuno.ferreira@egi.eu ; Diego Scardaci / diego.scardaci@egi.eu
  • External contact: Bruno Victor / bruno.victor@bsimsquare.com ; Carlos Simões / carlos.simoes@bsimsquare.com

Short Description

BSIM2 is a spin-off company founded in 2011 as the result of scientific work carried out at the University of Coimbra, in collaboration with the University of Leeds. For five years, the promoters assembled a suite of computational algorithms and workflows to conduct large-scale screenings and identify new amyloid inhibitors. The first product of the company’s portfolio is directed against a rare and fatal neurodegenerative disease.

BSIM2 is interested to to test the capabilities of the EGI Federated Cloud with some proof of concepts. At this stage, BSIM2 doesn't want to use the EGI Federated Cloud resources for commercial purposes but only to explore what EGI can provide and offer to understand if it could be useful for them in the future (e.g. when the pay-per-use model will be available). All the simulations that will be executed on the EGI FedCloud resources will use old or dummy data as input.

Use Case

Requirements

  • Molecular Dynamics simulations
    • cores: 24-48
    • RAM per CPU core: 512 MB
    • Storage: 150 GB
    • Inbound/Outbound during execution: no
    • Licensed software: no
    • Graphical interface: no
    • Operating System: Linux (Red Hat-­based)
    • Other requirements: SSH for access and Rsync for data transfer
  • Chemoinformatics applications/workflows
    • cores: 24-28
    • RAM per CPU core: 1-2 GB
    • Storage: 500 GB
    • Inbound/Outbound during execution: no
    • Licensed software: yes
    • Graphical interface: no
    • Operating System: Linux (Red Hat-­based)
    • Other requirements: ORACLE JRE, OpenMPI v1.6, SSH for access and Rsync for data transfer
  • Third-party, licensed, Linux applications
    • cores: 4-8
    • RAM per CPU core: 1 GB
    • Storage: 50 GB
    • Inbound/Outbound during execution: yes
    • Licensed software: yes
    • Graphical interface: yes
    • Operating System: Linux (Red Hat-­based and Ubuntu LTS)
    • Other requirements: FlexLM license server, VNC or NoMachine Server, SSH for access and Rsync for data transfer
  • Third-party, licensed, Windows applications
    • cores: 4-8
    • RAM per CPU core: 1 GB
    • Storage: 50 GB
    • Inbound/Outbound during execution: no
    • Licensed software: yes
    • Graphical interface: yes
    • Operating System: Windows (Windows 7, Windows 8)
    • Other requirements: Remote Desktop for access

Additional Files