December 2023 Release of SEAVEAtk

FabSim3 – v3.76

Documentation: https://fabsim3.readthedocs.io/en/latest/ 

Plugins: https://fabsim3.readthedocs.io/en/latest/plugins/

Code and tutorials: https://github.com/djgroen/FabSim3/releases/tag/v3.76

New Features

• Support for Python 3.12
• New plugins: FabNESO, FabGuard, FabECO and FabOasis
• Support for dry runs for diagnostic purposes.
• Added command to wipe remote directories.

Updates

• Introduced a dynamic polling interval when waiting for completion (initially often, and reducing frequency as time passes)
• Fixed obsolete tests
• Updated literature references in documentation
• Various security fixes
• Fixes to autocomplete functionality
• Removed various obsolete defaults in machines.yml
• Improved implementation of SSHPass authentication method, which is slightly more secure.

Tutorials and plugins

• A full list of plugins and tutorials/documentation is available here: https://fabsim3.readthedocs.io/en/latest/plugins/

MUSCLE3 – v0.7.1

Documentation: https://muscle3.readthedocs.io/en/latest/

Code: https://github.com/multiscale/muscle3/releases/

Added

• Support for Python 3.11 (working already, now official)
• Enabled type checking support for the libmuscle Python API

Improved

• Easier crash debugging due to improved root cause detection
• Fixed crash in profiling timeline plot
• Better performance of timeline plot
• Better visual quality of timeline plot
• Improved profiling of shutdown process
• Fixed crash in profiler for large simulations
• Fixed several (harmless) compiler warnings
• Small documentation rendering improvements

RADICAL-Cybertools

Overview: https://github.com/radical-cybertools

Code: The latest RCT stack consists of the following releases:

• utils: v1.43.0 – https://github.com/radical-cybertools/radical.utils/releases/tag/v1.43.0
• saga: v1.42.0 – https://github.com/radical-cybertools/radical.saga/releases/tag/v1.42.0
• pilot: v1.42.0 – https://github.com/radical-cybertools/radical.pilot/releases/tag/v1.42.0
• entk: v1.42.0 – https://github.com/radical-cybertools/radical.entk/releases/tag/v1.42.0
• analytics: v1.42.0 – https://github.com/radical-cybertools/radical.analytics/releases/tag/v1.42.0

Features:

• New features for the various RCT modules are described in each of the links above.

EasySurrogate – v0.19

Tutorial: https://github.com/wedeling/EasySurrogate/tree/master/tutorials

Code: https://github.com/wedeling/EasySurrogate

 Updates:

• Generative Adversarial Networks: generative modelling with ANNs, tutorial: https://github.com/wedeling/EasySurrogate/tree/master/tutorials/GAN
• Batch normalization: to avoid covariate shift during training, tutorial: https://github.com/wedeling/EasySurrogate/tree/master/tutorials/batch_normalization

EasyVVUQ – v1.2.1

Documentation: https://easyvvuq.readthedocs.io/en/latest/

Code: https://github.com/UCL-CCS/EasyVVUQ/releases/tag/v1.2.1

Fixes and updates

• Fixed several tests for newer Python versions.
• Updated integration with QCG-PilotJob

Tutorials

• SSC tutorial: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/simplex_stochastic_collocation_tutorial.ipynb
• Hyperparameter tuning tutorial, local sampling: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/hyperparameter_tuning_tutorial.ipynb
• Hyperparameter tuning tutorial, remote sampling with FabSim3: https://github.com/UCL-CCS/EasyVVUQ/blob/dev/tutorials/hyperparameter_tuning_tutorial_with_fabsim.ipynb

QCG-PilotJob – v0.14.0

Documentation: https://qcg-pilotjob.readthedocs.io

Code: https://github.com/psnc-qcg/QCG-PilotJob/releases/tag/v0.14.0

Features:

• Support for QCG-PJ on the ARCHER2 supercomputer.
• High level interface with EasyVVUQ for novice users.
• Improved handling of custom arguments for LocalManager in QCGPJExecutor
• Fixed dependencies of zmq package
• Improved script element handling of in various parallel modes
• Changed the method of gathering available CPU identifiers
• A range of minor improvements

Bugfixes:

• Improved handling of custom arguments for LocalManager in QCGPJExecutor
• Fixed dependencies of zmq package
• Improved script element handling of in various parallel modes
• Fixed bug undefined variable
• Typo in service arguments

Other Improvements

Changed the method of gathering available CPU identifiers

MOGP – v0.72

Documentation: https://github.com/alan-turing-institute/mogp-emulator/tree/main/mogp_emulator/demos

Code: https://github.com/alan-turing-institute/mogp-emulator/releases/tag/v0.7.2

Updates:

• Up to date