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June 10 2019 » History » Version 1

Paul Bauer, 06/10/2019 01:51 PM

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h1. June 10 2019
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h2. Apologies
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Mark, Christian, Artem
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h2. Completed since last meeting ([[June 3 2019]])
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* Preparations for PRACE seasonal school
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h2. Upcoming targets
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* Post-submit failing in complex.nbnxn-ljpme-LB-geometric (issue #2939) - Berk and Szilard are working more on this.
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* GPU bonded optimization (issue #2818, 'AMBER trick')
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* 2019.3 release planned for Friday.
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* Fix Python 3 on bs-nix-docs (Joe, Paul) - Might be easier to spin up new VM for this.
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* Lots of spamming accounts are created in Redmine - Needs fixing, but no solution present right now.
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h2. Progress since last meeting
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* Cryo EM finished and up to review - Christian
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* Enable static selection using selection syntax - Christian
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* BioExcel-2 MS6.2 user survey is planned during summer school - Christian
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* BioExcel-2 CSC workshops, all set up, applied for PRACE funding, no news yet - Christian
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* Extracting MPI setup from commrec setup, patches - needs review (Paul)
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* WIP of Docker+k8s documentation build, going forward but killed Marks PC - Mark
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* BioExcel-2 Sardinia summer school July. Deadline: June 17 - Christian & Mark
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* CUDA update/constrain unification patches waiting for review - Artem
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* CUDA buffer ops patches - Szilard, Artem
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* Constant pH code - working branch, code not very clean, nothing new for now - Berk, Paul
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* Topology data structure cleanup - review needed - Paul, Mark
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* Trajectory analysis output filters - Paul, Mark
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* Paul started to split up EnergyAnalysis framework
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* Paul started work on rewriting TPR IO to use serializer interface.
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* Berk has working branch for always using domain decomposition - L-BGFS minimizer does not work with this