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Task #3183

Task #2675: bonded CUDA offload task

enable bonded interactions on GPU

Added by Szilárd Páll 9 months ago. Updated 7 months ago.

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

F_FOURDIHS and F_PIDIHS are computed by the RB and proper dihedral code for which we already have GPU kernels, so it should only require enabling these.

History

#1 Updated by Szilárd Páll 9 months ago

  • Private changed from Yes to No

#2 Updated by Berk Hess 9 months ago

See this "trivial" change:
fdb8bb63c05181266f626484767b9e60d5fe9187

#3 Updated by Szilárd Páll 9 months ago

  • Description updated (diff)
  • Status changed from New to Accepted

#4 Updated by Szilárd Páll 9 months ago

Doe we know which (if any) of the regressiontests have such interactions?

#5 Updated by Paul Bauer 8 months ago

what is the status of this?

#6 Updated by Paul Bauer 8 months ago

  • Target version changed from 2020-beta3 to 2020-rc1

bump

#7 Updated by Paul Bauer 7 months ago

  • Target version changed from 2020-rc1 to 2021-infrastructure-stable

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