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Longbow v1.5.1
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@jimboid jimboid released this 25 Apr 10:44
· 96 commits to master since this release
v1.5.1
145a985

The changes in this release are summarised below:

  1. Bug fix - a number of parameters that are only used in specific scheduler or application plugins have been renamed to include the plugin name prefix (issue #54)

  2. Bug fix - executables expressed as absolute paths for supported plugins would cause a crash due to searching for a module with that key. (issue #63)

  3. Bug fix - wrong error message was displayed when an executable didn't exist on HPC machine (issue #65)

  4. Bug fix - fix for crash when using NAMD SMP builds, the commandline parameters beginning with "+" would trigger the crash (issue #66)

  5. Bug fix - fixed misleading error messages about missing files and flags (issue #67)

  6. Bug fix - fixed problem where the newly added bash autocomplete did not allow filenames on disk to autocomplete (issue #68)

  7. Bug fix - fixed a problem when a large number of short jobs that trigger job subqueuing would cause a crash (issue #72)

  8. Bug fix - fixed user reported bug with strange looking error messages concealing a further absolute path bug (issue #75)

  9. New feature - Added support for the slurm gres flag so users can do something like this "slurm-gres = gpu:1" in their host or job conf files (issue #76)

  10. Bug fix - Restored the ability to issue --maxtime on the commandline (issue #78)

  11. New feature - support added for the upcoming release of python chemshell (issue #80)

  12. Bug fix - fix for problem where parameters in configuration files containing the "=" sign would cause the input file parser to misread them (issue #81)

  13. Bug fix - fix for problem with LAMMPS jobs where files provided with "include" or as part of other parameters would not be transferred, thanks to Anders Johansson for suggesting some ideas and solutions (issue #86)

  14. The structure of the Longbow API has been simplified, the source files no longer reside in a subdirectory called "core" within the installation directory. This has made importing much simpler and imports shorter

  15. Examples have been restructured and the how to run instructions updated. The actual run files remain the same, there are still incompatibilities with these and newer versions of MD codes but this will be addressed in the next version

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