News of 2025-09 Sep: Difference between revisions

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* we are creating a new version of the 3d building pipeline that uses the Uppsala drop-in replacements for auxilliary programs.
* we are creating a new version of the 3d building pipeline that uses the Uppsala drop-in replacements for auxilliary programs.
* we are working on natural products (more soon)
* we are working on natural products (more soon)


== Change coming by the end of September 2025 ==
== Change coming by the end of September 2025 ==
* to cover all tranches and layers evenly, we are changing what we load on Wynton.  
* to cover all tranches and layers evenly, we are changing what we load on Wynton.  
* currently (to late September 2025) we have all layers, with the /[a-m]/ tranches on Wynton
* 100% to H19.
* except: zinc-22n/H2[456] is not on Wynton
* 38% from H20 to H49, evenly spread over all layers and tranches.
* to dock /[n-z]/ you must currently dock on gimel OR AWS.  
* thus 100% of  zinc-22?/H[01]?/H??[PM]???/[a-z]/*.db2.tgz. 100%
 
* 38% of         zinc-22?/H[234]?/H??[PM]???/[a-j]/*.db2.tgz.  38%
At the end of September, this will change as follows:
* Only on gimel:    zinc-22?/H[234]?/H??[PM]???/[k-z]/*.db2.tgz.  62%.
* all layer in all tranches /[a-j]/ will be on Wynton, including in zinc-22n/H2[456]
* Footprint on Wynton of ZINC-22:  about 1.2-1.3 PB.
* this will provide representative coverage of all layers of ZINC-22, including zinc-22n
* Foot print on Gimel2 of ZINC-22: about 3.3 PB.  (as of Sept 19, 2025)
* To dock, /[k-z]/ you must use gimel or AWS.  
* Thus 38% of ZINC-22 will be on Wynton (occupying about 1.2 PB)
* 100% of ZINC-22 will be on gimel and AWS. (occupying about 3.2 PB total)


This means:  
This means:  
* you can dock a representative sample of ZINC-22 on Wynton
* you can dock an even representative sample of ZINC-22 on Wynton.
* with either Wynton + gimel or Wynton+AWS or AWS alone or gimel alone you can dock 100% of the 10 B ZINC-22 mols
* you can dock 100% of ZINC-22 up to H19.
* we have enough room on Wynton for new projects including for 4.4 T databases and so on.  
* if you want to dock H20 or above, you must use gimel.  


Thank you for reading. Please let your IT team know of any concerns.  
Thank you for reading. Please let your IT team know of any concerns.  


[[Category:News]]
[[Category:News]]

Revision as of 18:24, 19 September 2025

This is the news of September 2025.

  • we are building H30-H33 P300-350 in zinc-22c.
  • we have removed zinc-22n/H24 from Wynton to make space
  • currently is [a-m] for all tranches in all layers, except zinc-22n where H24, H25, H26 are missing
  • we are creating a new version of the 3d building pipeline that uses the Uppsala drop-in replacements for auxilliary programs.
  • we are working on natural products (more soon)

Change coming by the end of September 2025

  • to cover all tranches and layers evenly, we are changing what we load on Wynton.
  • 100% to H19.
  • 38% from H20 to H49, evenly spread over all layers and tranches.
  • thus 100% of zinc-22?/H[01]?/H??[PM]???/[a-z]/*.db2.tgz. 100%
  • 38% of zinc-22?/H[234]?/H??[PM]???/[a-j]/*.db2.tgz. 38%
  • Only on gimel: zinc-22?/H[234]?/H??[PM]???/[k-z]/*.db2.tgz. 62%.
  • Footprint on Wynton of ZINC-22: about 1.2-1.3 PB.
  • Foot print on Gimel2 of ZINC-22: about 3.3 PB. (as of Sept 19, 2025)

This means:

  • you can dock an even representative sample of ZINC-22 on Wynton.
  • you can dock 100% of ZINC-22 up to H19.
  • if you want to dock H20 or above, you must use gimel.

Thank you for reading. Please let your IT team know of any concerns.

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