Difference between revisions of "FlexChem"

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== Overview ==
 
== Overview ==
  
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FlexChem is our new clean implementation of the KPP chemical solver in GEOS-Chem. It is slated to be introduced in [[GEOS-Chem v11-01#v11-01g|GEOS-Chem v11-01g]].
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The clean and flexible reimplementation of the Kinetic PreProcessor package (aka KPP)—known as '''FlexChem'''—is nearing full integration into GEOS-Chem. Most of the remaining FlexChem development work will focus on replacing legacy infrastructure—which prevents GEOS-Chem from operating efficiently in high-performance computing (HPC) environments—with newer, more efficient algorithms.  
  
 
More information will be posted here soon!
 
More information will be posted here soon!
  
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--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 20:13, 4 May 2016 (UTC)
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--[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 19:58, 19 May 2016 (UTC)
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== Milestones ==
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The following table shows several milestones that were achieved in the FlexChem implementation, development, as well as ongoing development tasks.
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 +
 
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{| border=1 cellspacing=0 cellpadding=5
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|-valign="top" bgcolor="#CCCCCC"
 +
!width="600px"|Task
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!width="150px"|Developer
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!width="200px"|Status
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|-valign="top"
 +
|Added FlexChem into v11-01c.
 +
|Mike Long
 +
|Completed 14 Dec 2015
 +
 
 +
|-valign="top"
 +
|Enabled the “tropchem” mechanism.
 +
|Mike Long
 +
|Completed 14 Dec 2015
 +
 
 +
|-valign="top"
 +
|Restored the OH and HO2 diagnostics (ND43) \
 +
|Melissa Sulprizio
 +
|Completed 18 Dec 2015
 +
 
 +
|-valign="top"
 +
|Removed CSPEC array and replaced with State_Chm%Species
 +
|Melissa Sulprizio
 +
|Completed 22 Dec 2015
 +
 
 +
|-valign="top"
 +
|Enabled a workaround for family tracers (ISOPN, MMN)
 +
|Mike Long
 +
|Completed 25 Jan 2016
 +
 
 +
|-valign="top"
 +
|Enabled FAST-JX photochemistry
 +
|Mike Long
 +
|Completed 25 Jan 2016
 +
 
 +
|-valign="top"
 +
|Enabled the "benchmark" chemistry mechanism
 +
|Melissa Sulprizio
 +
|Completed 29 Jan 2016
 +
 
 +
|-valign="top"
 +
|Fixed HBr and HOBr hetchem rates for the "tropchem" mechanism
 +
|Melissa Sulprizio
 +
|Completed 04 Feb 2016
 +
 
 +
|-valign="top"
 +
|Fixed unit conversions for heterogeneous chemistry
 +
|Mike Long
 +
|Completed 18 Feb 2016
 +
 
 +
|-valign="top"
 +
|Restored the broken J-value diagnostic (ND22)
 +
|Melissa Sulprizio
 +
|Completed 15 Mar 2016
 +
 
 +
|-valign="top"
 +
|Parallelized the main KPP driver loop; fixed other minor issues
 +
|Bob Yantosca
 +
|Completed 30 Mar 2016
 +
 
 +
|-valign="top"
 +
|Enabled the SOA and SOA-SVPOA mechanisms
 +
|Lizzie Lundgren
 +
|Completed 01 Apr 2016
 +
 
 +
|-valign="top"
 +
|Added more parallelization fixes
 +
|Bob Yantosca
 +
|Completed 18 Apr 2016
 +
 
 +
|-valign="top"
 +
|Merged FlexChem with v11-01f
 +
|Melissa Sulprizio
 +
|Completed 20 Apr 2016
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 +
|-valign="top"
 +
|Added KPP repository to Bitbucket (https://bitbucket.org/gcst/kpp)
 +
|Mike Long
 +
|Completed 19 Apr 2016
 +
 
 +
|-valign="top"
 +
|Created new gckpp* files from the updated KPP solver package
 +
|Melissa Sulprizio
 +
|Completed 22 Apr 2016
 +
 
 +
|-valign="top"
 +
|Enabled the UCX mechanism
 +
|Melissa Sulprizio
 +
|Completed 26 Apr 2016
 +
 
 +
|-valign="top"
 +
|Introduced a prod/loss diagnostic into the KPP solver package
 +
|Mike Long
 +
|Completed 29 Apr 2016
 +
 
 +
|-valign="top"
 +
|Fixed various other bugs and cleaned up some leftover things
 +
|Melissa Sulprizio
 +
|Completed 04 May 2016
 +
 
 +
|-valign="top"
 +
|Completed unit tests and 1-month benchmarks for the tropchem, benchmark, UCX, SOA, and SOA-SVPOA simulations
 +
|Melissa Sulprizio<br>Lizzie Lundgren
 +
|Completed 05 May 2016
 +
 
 +
|}

Revision as of 19:58, 19 May 2016

Page is under construction.jpg

Overview

The clean and flexible reimplementation of the Kinetic PreProcessor package (aka KPP)—known as FlexChem—is nearing full integration into GEOS-Chem. Most of the remaining FlexChem development work will focus on replacing legacy infrastructure—which prevents GEOS-Chem from operating efficiently in high-performance computing (HPC) environments—with newer, more efficient algorithms.

More information will be posted here soon!

--Bob Yantosca (talk) 19:58, 19 May 2016 (UTC)

Milestones

The following table shows several milestones that were achieved in the FlexChem implementation, development, as well as ongoing development tasks.


Task Developer Status
Added FlexChem into v11-01c. Mike Long Completed 14 Dec 2015
Enabled the “tropchem” mechanism. Mike Long Completed 14 Dec 2015
Restored the OH and HO2 diagnostics (ND43) \ Melissa Sulprizio Completed 18 Dec 2015
Removed CSPEC array and replaced with State_Chm%Species Melissa Sulprizio Completed 22 Dec 2015
Enabled a workaround for family tracers (ISOPN, MMN) Mike Long Completed 25 Jan 2016
Enabled FAST-JX photochemistry Mike Long Completed 25 Jan 2016
Enabled the "benchmark" chemistry mechanism Melissa Sulprizio Completed 29 Jan 2016
Fixed HBr and HOBr hetchem rates for the "tropchem" mechanism Melissa Sulprizio Completed 04 Feb 2016
Fixed unit conversions for heterogeneous chemistry Mike Long Completed 18 Feb 2016
Restored the broken J-value diagnostic (ND22) Melissa Sulprizio Completed 15 Mar 2016
Parallelized the main KPP driver loop; fixed other minor issues Bob Yantosca Completed 30 Mar 2016
Enabled the SOA and SOA-SVPOA mechanisms Lizzie Lundgren Completed 01 Apr 2016
Added more parallelization fixes Bob Yantosca Completed 18 Apr 2016
Merged FlexChem with v11-01f Melissa Sulprizio Completed 20 Apr 2016
Added KPP repository to Bitbucket (https://bitbucket.org/gcst/kpp) Mike Long Completed 19 Apr 2016
Created new gckpp* files from the updated KPP solver package Melissa Sulprizio Completed 22 Apr 2016
Enabled the UCX mechanism Melissa Sulprizio Completed 26 Apr 2016
Introduced a prod/loss diagnostic into the KPP solver package Mike Long Completed 29 Apr 2016
Fixed various other bugs and cleaned up some leftover things Melissa Sulprizio Completed 04 May 2016
Completed unit tests and 1-month benchmarks for the tropchem, benchmark, UCX, SOA, and SOA-SVPOA simulations Melissa Sulprizio
Lizzie Lundgren 		Completed 05 May 2016
Retrieved from "https://wiki.seas.harvard.edu/geos-chem/index.php?title=FlexChem&oldid=26872"