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Bug #2974

position-restraints regressiontest fails on intel GPU with OpenCL

Added by Szilárd Páll over 1 year ago. Updated 9 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
mdrun
Target version:
2020.2
Affected version - extra info:
master
Affected version:
2019.2
Difficulty:
uncategorized
Close

Description

Tested on i7-8550U + UHD 620 and i7-8559U + Iris Plus 655. Only reproduces without DD and nonbonded offloaded. The forces seem to be just slightly off.

Attached log and checkforce output.

md.log (20.3 KB) md.log Szilárd Páll, 06/11/2019 12:09 AM
checkforce.out (39.4 KB) checkforce.out Szilárd Páll, 06/11/2019 12:09 AM

Related issues

Related to GROMACS - Bug #3405: intermitted OpenCL regressiontest failures Accepted

History

#1 Updated by Szilárd Páll over 1 year ago

Target tentative, unless we have a quick solution bump to next release.

#2 Updated by Mark Abraham over 1 year ago

  • Target version changed from 2019.3 to 2019.4

I reproduced on my i7-7500U (neo), but without leads, we'll have to bump this for now

#3 Updated by Szilárd Páll over 1 year ago

Mark Abraham wrote:

I reproduced on my i7-7500U (neo), but without leads, we'll have to bump this for now

Sure, I agree.

#4 Updated by Szilárd Páll about 1 year ago

Still failing on both 2019 and master. I have no leads, but it can't be a PME issue as this test does not use PME.

#5 Updated by Mark Abraham about 1 year ago

The logic about whether and how position restraints get run is pretty convoluted, so I could well believe that force contributions could be missed

#6 Updated by Berk Hess about 1 year ago

The differences are very small though, so I wouldn't exclude a too tight tolerance either.

#7 Updated by Paul Bauer about 1 year ago

  • Target version changed from 2019.4 to 2019.5

no fix in sight, bumped

#8 Updated by Szilárd Páll 12 months ago

Something changed that seems to make the same test on the same hardware on the current 2020 branch whereas on 2019 it still fails.

#9 Updated by Paul Bauer 12 months ago

should I move this to 2020 instead? to indicate it is fixed there?

#10 Updated by Szilárd Páll 12 months ago

It would be good to know what has changed, even if we don't fix it in 2019, so I'd prefer to not close this yet.

#11 Updated by Szilárd Páll 12 months ago

  • Subject changed from position-restraints regressiontest fails on intel GPU to position-restraints regressiontest fails on intel GPU with OpenCL

#12 Updated by Paul Bauer 11 months ago

  • Target version changed from 2019.5 to 2020

ok, changed to 2020 target

#13 Updated by Paul Bauer 11 months ago

  • Target version changed from 2020 to 2020.1

I would prefer closing this instead

#14 Updated by Paul Bauer 9 months ago

  • Target version changed from 2020.1 to 2020.2

still not sure what happens here

#15 Updated by Szilárd Páll 9 months ago

  • Related to Bug #3405: intermitted OpenCL regressiontest failures added

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