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PLEASE:

Scheraga's group must confirm decision on partitions AND their capabilities and use.

Why?

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ChemIT requires this information to set up the new Matrix. Soon, a lack of a decision from the group will bring this project to a full-stop until the information is provided.

  • Initial email sent 7/29/2014 5:30:05 PM to Czarek. No written confirmation, as of 8/25/14 (Monday).

Even after

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group has confirmed ChemIT's initial suggestions (which still needs to happen), iterations and subsequent clarifications may also be required.

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Thus, we

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will need the group's continued engagement to ensure ChemIT is doing things to best meet the group's needs.

Current idea:

On external 12 TB Synology system:

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  • OS (16-17 GB)
    • YUM-installed applications
    • And other select other cluster-specific applications
  • swap (32 GB)
  • /data (200+GB; the rest!)
    • Applications for researchers (/software -> /data/software)
    • Software source files.

Scheraga's group must provide to ChemIT two (2) quota numbers for every active user (and info might inform partitions' minimum sizes, required above)

For each current researcher, a quota must separately be specified for their:

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  • ChemIT will thus create a report to Gia with when they last logged in.

Scheraga's group must approve process for ChemIT to copy researchers' files from old Matrix to the new Matrix.

Idea:

  • Create empty /home directories for each user. Leave empty.
  • ChemIT copies all a user's data in old Matrix to the new Matrix's /storage partition. Each researcher selectively moves what is required to their new Matrix home directory.
  • OUTCOMES
    • Clean /home directories, making restores and debugging much easier over time.
    • Pawel supports this approach. He estimates perhaps 1/2 - 1 hour work for each researcher.
  • To do: Figure out dates and other timing, including complete downtime.

Scheraga's group must decide importance of integrating GPU

Yi He must test .(on ChemIT's headnode)

 

Group's Matrix documentation

Develop ChemIT strongly recommends that the group develop and communicate a community standard of practice.

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