deepmodeling
In the CI test some warning get different value between github test
Describe the Testing Issue
In the CI test some warning get different value between github test,
101_PW_upf201_uspp_NaCl mywarn [WARNING ] totalforceref cal=9.44457600 ref=9.44612000 deviation=0.00154400 githup 1: [WARNING ] totalforceref cal=9.44971600 ref=9.44612000 deviation=-0.00359600
281_NO_KP_HSE 与github mywarn [WARNING ] totalstressref cal=4160.37924100 ref=4160.36613500 deviation=-0.01310600 githup [WARNING ] totalstressref cal=4160.37931600 ref=4160.36613500 deviation=-0.01318100
286_NO_KP_CR_HSE mywarn [WARNING ] etotref cal=-192.65701443 ref=-192.65714944 deviation=-0.00013501 githup 1: [WARNING ] etotref cal=-192.65701432 ref=-192.65714944 deviation=-0.00013512
I want to change the result.ref, which comfirm before it avalable, but some test get different value and I don't now how to solve it. this issue related PR is #3412 and #3382 , it also related to the issues before #2844
Additional Context
No response
Task list for Issue attackers (only for developers)
- [ ] Understand the testing issue described by the developer.
- [ ] Review the specific test case, expected and actual results, and any error messages.
- [ ] Identify the root cause of the test failure or issue.
- [ ] If a possible solution is suggested, evaluate its feasibility and effectiveness.
- [ ] Implement a fix for the test failure or issue, or create a new test case if needed.
- [ ] Verify that the fix resolves the testing issue and the test case passes.
- [ ] Review and update any relevant documentation, such as test plans or user guides.
- [ ] Ensure the testing issue is resolved and close the ticket.
- [ ] Share any lessons learned or best practices with the team to prevent similar issues in the future.
You can get the same machine environment as GitHub through docker.
@hongriTianqi @pxlxingliang What's your advice?
@Zhuxuegang2022, Is there any update about this issue to share with us?
@Zhuxuegang2022, Is there any update about this issue to share with us?
Yes, it seem that the different are related to the compile method, or may related to the OMP_NUM_THREADS=n. I think it is an issue need pay more attention, which may give different result for different compile method or different persion. What more, the PR #3412 is already get correct value by get the same situation of github. If one think this issue is not need pay more attention, it may be closed.