Difference between revisions of "Dalton CPP-LR parallelization"

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|fields=Computational science; Computational chemistry
 
|fields=Computational science; Computational chemistry
 
|financing=SNIC
 
|financing=SNIC
|active=yes
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|active=No
 
|start date=2012-12-13
 
|start date=2012-12-13
 
|end date=
 
|end date=
 
}}
 
}}
  
{{checkbox|0|Done}}
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This project is the result of a request for application expert support. See here for the original request ([[Media:ccp-cc_paralllelization.pdf|PDF]]).
  
Describe your project here, using your document structure of choice and in as much detail as you deem necessary. Look at other project for guidance.  
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Requestors and collaborators:
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* [https://www.ifm.liu.se/theomod/compphys/panor.xml Prof. Patrick Norrman, Computational Physics, IFM - Linköping University]
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* [https://www.ifm.liu.se/theomod/compphys/joaka.xml Dr. Joanna Kauczor, Computational Physics, IFM - Linköping University]
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Project is established in two phases.
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Phase 1 (~10 work days):
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* Meet with requestors to discuss the proposal {{ck|y}}
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* Profile and analyze the code to figure out the time consuming parts {{ck|y}}
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* Suggest a parallelization strategy {{ck|y}}
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Report of work in phase 1 ([[Media:ccp-lr.pdf|PDF]]).
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Phase 2:
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* Work on the parallelization with the requestors
  
 
== Members ==
 
== Members ==

Latest revision as of 10:29, 27 March 2015

Name Dalton CPP-LR parallelization
Description Parallelization of the coupled cluster complex polarization propagator module in the Dalton program
Project financing   SNIC
Is active No
Start date 2012-12-13
End date

This project is the result of a request for application expert support. See here for the original request (PDF).

Requestors and collaborators:

Project is established in two phases.

Phase 1 (~10 work days):

  • Meet with requestors to discuss the proposal ✓
  • Profile and analyze the code to figure out the time consuming parts ✓
  • Suggest a parallelization strategy ✓

Report of work in phase 1 (PDF).

Phase 2:

  • Work on the parallelization with the requestors

Members

 CentreRoleField
Chandan Basu (NSC)NSCApplication expertComputational science
Soon-Heum Ko (NSC)NSCApplication expertComputational fluid dynamics
Torben Rasmussen (NSC)NSCApplication expertComputational chemistry