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0.0.6 bug noted in workflow.py is probably fixed in 0.0.7 #175

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eirrgang opened this issue Nov 1, 2018 · 2 comments
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0.0.6 bug noted in workflow.py is probably fixed in 0.0.7 #175

eirrgang opened this issue Nov 1, 2018 · 2 comments
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@eirrgang
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eirrgang commented Nov 1, 2018

The issue in which simulations restored from checkpoint may unexpectedly run forever will probably be addressed in GROMACS 2019 with a resolution to https://redmine.gromacs.org/issues/2717

If this happens soon, we can update our documentation for 0.0.7
@eirrgang eirrgang added the task Task in support of a larger issue label Nov 1, 2018
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eirrgang commented Nov 7, 2018

Note: the GROMACS issue is not likely to be resolved before GROAMCS 2019 beta 2, but is expected to be resolved before the primary GROMACS 2019 release. Any behavior change that results in the client software can be documented in updates to the 0.0.7 release branches. I think we can choose to assert that such a behavior change would be a bug fix in gmxapi.

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eirrgang commented Nov 9, 2018

Update: https://redmine.gromacs.org/issues/2717 has been resolved, so I have reopened #130 until we confirm that GROMACS beta 3 behaves as expected.

@eirrgang eirrgang closed this as completed Nov 9, 2018
eirrgang added a commit to eirrgang/gmxapi that referenced this issue Nov 9, 2018
@eirrgang
Remove documentation reference to issue kassonlab#130.
0945e57 
resolves kassonlab#175

Behavior is well-defined as of GROMACS 2019 beta 3.
If additional documentation updates are necessary, we will address them
in a separate issue.
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