changes to include maximum number of iterations for phase change

JRChreim commented 3 months ago

Description

This pull request includes global variable "max_iter_pc_ts" to account for the maximum number of iterations within phase change, when this module is activated. It also include OpenACC statement for the GPU compilers

Type of change

Please delete options that are not relevant.

[X] New feature (non-breaking change which adds functionality)

Scope

[X] This PR comprises a set of related changes with a common goal

If you cannot check the above box, please split your PR into multiple PRs that each have a common goal.

How Has This Been Tested?

The test to check this functionality was to add the global variable to the appropriate modules and checking whether the output was expected or not. After it was working for the CPU compilation, with was extended (and tested) to the GPU compilation. Note that this functionality only affects the .out file, whenever phase change is activated

Test Configuration:

What computers and compilers did you use to test this: Bridges2 (CPU) and Delta (GPU)

Checklist

[X] I have added comments for the new code
[X] I added Doxygen docstrings to the new code
[N/A] I have made corresponding changes to the documentation (docs/)
[N/A] I have added regression tests to the test suite so that people can verify in the future that the feature is behaving as expected
[N/A] I have added example cases in examples/ that demonstrate my new feature performing as expected
[X] I ran ./mfc.sh format before committing my code
[X] New and existing tests pass locally with my changes, including with GPU capability enabled and disabled
[X] This PR does not introduce any repeated code (it follows the DRY principle)
[X] I cannot think of a way to condense this code and reduce any introduced additional line count

If your code changes any code source files (anything in `src/`)

To make sure the code is performing as expected on GPU devices, I have:

[X] Checked that the code compiles using NVHPC compilers
[N/A] Ran the code on either V100, A100, or H100 GPUs and ensured the new feature performed as expected (the GPU results match the CPU results)
[N/A] Enclosed the new feature via nvtx ranges so that they can be identified in profiles
[N/A] Ran a Nsight Systems profile using ./mfc.sh run XXXX --gpu -t simulation --nsys, and have attached the output file (.nsys-rep) and plain text results to this PR
[N/A] Ran my code using various numbers of different GPUs (1, 2, and 8, for example) in parallel and made sure that the results scale similarly to what happens if you run without the new code/feature

JRChreim commented 3 months ago

@henryleberre , I believe I have clarified all your questions. Let me know if there is anything still unsure. Thank you!

henryleberre commented 3 months ago

@JRChreim Thanks, I must have misread where the maxval was located. You are right.

MFlowCode / MFC