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Feature #2620

Feature #2585: Infrastructure supporting external API

MD signaling API

Added by Eric Irrgang about 1 year ago. Updated 9 months ago.

Status:
In Progress
Priority:
Normal
Assignee:
-
Category:
-
Target version:
-
Difficulty:
uncategorized
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Description

Allow client code, such as modules implementing MD support code, to issue runtime simulation signals.

gmxapi milestone 10 as described at #2585

A signal manager must be provided to applicable simulation methods to allow binding to various control flow signals. The signal manager is one of several resources owned by client code (or other code external to the actual simulation method implementation) and likely dependent on the runtime environment that requires infrastructure from gmxapi milestone 5 (issue #2587).

Further develops resources from milestone 23.

Relates to issue #2224

Associated revisions

Revision 05b388dd (diff)
Added by Eric Irrgang about 1 year ago

Add gmxapi session resources.

Allow simulation support code to access resources from the running
session. Provide some abstraction for resources implemented or
managed differently in different execution environments or API contexts.
Examples of resources are input and output data streams or simulation
control signals.

Support gmxapi milestone 10

Refs #2620

Change-Id: Ic0ed02b876e4d7a253ad75b58cd24593d7e68acf

Revision 806b4574 (diff)
Added by Eric Irrgang about 1 year ago

Allow API access to simulation signals.

Refs #2620 for gmxapi milestone 10

Provide API client access to issue stop signals through simulation
Session resources. Stop conditions will be discovered by the simulation
when checked from within the MD loop.

Also relates to #2224 and various other works in progress.

Change-Id: I2815733d3d18bc04685dacbd8f6a3ba56e55b783

History

#1 Updated by Gerrit Code Review Bot about 1 year ago

Gerrit received a related patchset '1' for Issue #2620.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~Iee677de6f8740b103651c2cb6a0bcdddcf9b0b02
Gerrit URL: https://gerrit.gromacs.org/8215

#2 Updated by Gerrit Code Review Bot about 1 year ago

Gerrit received a related patchset '1' for Issue #2620.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~I2815733d3d18bc04685dacbd8f6a3ba56e55b783
Gerrit URL: https://gerrit.gromacs.org/8216

#3 Updated by Gerrit Code Review Bot about 1 year ago

Gerrit received a related patchset '3' for Issue #2620.
Uploader: M. Eric Irrgang ()
Change-Id: gromacs~master~Ic0ed02b876e4d7a253ad75b58cd24593d7e68acf
Gerrit URL: https://gerrit.gromacs.org/8247

#4 Updated by Eric Irrgang 9 months ago

  • Status changed from New to Closed

#5 Updated by Eric Irrgang 9 months ago

  • Status changed from Closed to In Progress

#6 Updated by Eric Irrgang 9 months ago

Currently resolved with gmx::MdrunnerBuilder::addStopHandlerBuilder and gmxapi::SignalManager but with room for improvement. We should either populate this issue with proposals for refinements for the 2020 release or close it.

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