July 2023 Release of SEAVEAtk

FabSim3 – v3.75

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

Code and tutorials: https://github.com/djgroen/FabSim3/releases/tag/v3.75

New Features

  • Support for upsampling replicated ensemble simulations, i.e. add additional replications for individual instances.
  • Added more pages to the documentation
    • Testing
    • Getting Started
    • APIs for plugin developers
    • New plugin: FabDynamics

Updates

  • Fixed a number of test cases.
  • A range of major extensions and improvements to the documentation.

Tutorials and plugins

MUSCLE3 – v0.7.0

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

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

Added

  • Checkpointing is now supported in C++ and Fortran as well
  • Added built-in profiling feature
  • New object-oriented Fortran API (existing API also still available)
  • New Instance.list_settings() function
  • Build support for macOS with CLang and G++/GFortran
  • Build support for Cray machines and compilers

Improved

  • Compiling with MPI and linking without or vice versa is now impossible
  • Fixed MessagePack build failure on old OSes
  • Fixed resource allocation for instance sets
  • Planner now detects F_INIT -> O_F loops and gives an error
  • Manager correctly handles instances that never register
  • Last lines of log now printer to screen on error for smoother problem solving
  • Various small fixes and improvements

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

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

EasySurrogate – v0.19

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

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

Updates:

  • Added Dropout regularization. Tutorial and documentation on this feature is forthcoming

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:

  • no new updates

RADICAL-Cybertools

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

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

Features:

  • The main changes over the last couple of releases have been improved integration and stability of the Raptor subsystem (fast function execution at scale), improved documentation, and support for new NSF and DOE resources.
  • The next set of releases will remove MongoDB as a dependency. That will simplify deployment and sysop significantly and remove some scalability bottlenecks. Release is expected in August 2023.