This meeting instance was canceled due to DD illness. Written dev status summary below:
DD : Currently live testing
alchemiscale-fah
0.1.0rc withalchemiscale
0.5.0rc usingmskcc2
anddev.alchemiscale.org
worked through connectivity issues with @Mike Henry and @Hugo Macdermott-Opeskin
worked through FAH client issues on Iris with @Hugo Macdermott-Opeskin and @John Chodera
our work units generated by
alchemiscale-fah
successfully execute on FAH, but two issues we’re working through:replays of
ProtocolDAG
s that previously failed always fail due to files being cleaned up too overzealously inshared
spaceworking to rectify this in
alchemiscale-fah
execution of
FahNonEquilibriumCyclingProtocol
Task
s bottlenecked by minimization being performed in theSetupUnit
, which occurs on the host the compute service lives onneed to move minimization to FAH, performed within
openmm-core
also need to make it possible to defer minimization from
SetupUnit
toCycleUnit
infeflow.NonEquilibriumCyclingProtocol
may proceed with cutting alchemiscale 0.5.0 release prior to resolution of above, deployment to prod alchemiscale.org instance
somewhat decoupled at this point from movement in alchemiscale-fah
IK : Implementing user-defined policies for server-side errored
Task
restarts inalchemiscale
Testing is taking longer than expected to implement and is the main blocker to restart resolution
DD + IK : we’ve also started design cycles for
Strategy
s; will present on this in an upcoming dev meeting
Participants
Goals
DD :
alchemiscale
roadmapQ1 : complete “living networks” performance improvementsQ1 : Folding@Home compute services deployed in production
finish MVP, with integration test suite by 2024.03 2024.06perform FAH tests with volunteers during
2024.042024.062024.07public work server up by
2024.03.152024.06.112024.07.192024.07.31confidential work server up by
2024.04.012024.07.012024.07.312024.08.16
Q2Q3 : developStrategy
structure, initial implementationsaiming to begin design
6/267/107/24 sprint, followed by MVP development duringJulyAugust
Q3 : enable automated
Strategy
execution byend of Q3, 2024 (2024.10.01)mid Q4, 2024 (2024.11.15)
DD :
alchemiscale.org
website proposal:DD : proposal: reorganize
alchemiscale
projectmigrate
alchemiscale
under OpenFreeEnergy Github orgcreate
alchemiscale
channel in OpenFE Slackmove working group meeting notes under OpenFE working group
DD : proposal: deprecate use of anaconda.org environments:
remove references to them in docs
keep instructions to users to clone repository, checkout release tag, install prod client env from there
alchemiscale
development : new sprint spanning 8/7 - 8/19architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link
coordination board : alchemiscale : Phase 3 - Folding@Home, new features, optimizations, targeted refactors
Discussion topics
Notes |
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