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Task #2997

improve performance of alchemical free energy calculations

Added by Szilárd Páll about 2 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
mdrun
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Difficulty:
uncategorized
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Description

Top-level task for SIMD and GPU-accelerated alchemical free energy calculations work.

Associated revisions

Revision acb7e888 (diff)
Added by Szilárd Páll about 2 months ago

Create dedicated subcounter for nonbonded FEP

Now all nonbonded work has their own separate subcoutners which allows
measuring the performance of each task separately.

Refs #2997

Change-Id: I601445364592923d08087a858da4629b0b58ae76

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