Replace intrinsics in allocate statements

[prathi-wind]

User description

Description

Replace instrinsics in allocate statements and save them in global parameters

Fixes #803

Type of change

Please delete options that are not relevant.

• Bug fix (non-breaking change which fixes an issue)
• New feature (non-breaking change which adds functionality)
• Something else

Scope

• 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?

Please describe the tests that you ran to verify your changes.
Provide instructions so we can reproduce.
Please also list any relevant details for your test configuration

• Test A
• Test B

Test Configuration:

• What computers and compilers did you use to test this:

Checklist

• I have added comments for the new code
• I added Doxygen docstrings to the new code
• I have made corresponding changes to the documentation (docs/)
• I have added regression tests to the test suite so that people can verify in the future that the feature is behaving as expected
• I have added example cases in examples/ that demonstrate my new feature performing as expected.
  They run to completion and demonstrate "interesting physics"
• I ran ./mfc.sh format before committing my code
• New and existing tests pass locally with my changes, including with GPU capability enabled (both NVIDIA hardware with NVHPC compilers and AMD hardware with CRAY compilers) and disabled
• This PR does not introduce any repeated code (it follows the DRY principle)
• 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/simulation)

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

• Checked that the code compiles using NVHPC compilers
• Checked that the code compiles using CRAY compilers
• 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)
• Ran the code on MI200+ GPUs and ensure the new features performed as expected (the GPU results match the CPU results)
• Enclosed the new feature via nvtx ranges so that they can be identified in profiles
• 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
• Ran a Rocprof Systems profile using ./mfc.sh run XXXX --gpu -t simulation --rsys --hip-trace, and have attached the output file and plain text results to this PR.
• 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

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PR Type

Enhancement

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Description

• Replace intrinsic functions in allocate statements with global parameters

• Add cell bounds structure to store min/max values

• Update allocation calls to use precomputed bounds

• Improve memory allocation efficiency across modules

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Changes diagram

flowchart LR
  A["Intrinsic functions in allocate"] --> B["cell_num_bounds structure"]
  B --> C["Global parameters"]
  C --> D["Updated allocate statements"]
  D --> E["Improved allocation efficiency"]

Loading

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Changes walkthrough 📝

Relevant files

Enhancement

14 files m_derived_types.fpp Add cell_num_bounds type definition                                            +6/-0      m_helper_basic.fpp Add cell bounds update subroutine                                                +22/-1    m_mpi_common.fpp Replace intrinsics with cell bounds variables                        +4/-2      m_variables_conversion.fpp Use Re_size_max instead of maxval intrinsic                            +1/-1      m_global_parameters.fpp Add cells_bounds global variable and initialization            +5/-0      m_start_up.f90 Update cell bounds after reading input                                      +3/-0      m_global_parameters.fpp Add cells_bounds variable and initialization                          +5/-0      m_start_up.fpp Update cell bounds after input processing                                +3/-0      m_global_parameters.fpp Add Re_size_max and cells_bounds variables                              +11/-5    m_mpi_proxy.fpp Replace min/max intrinsics with bounds variables                  +2/-2      m_pressure_relaxation.fpp Use Re_size_max for allocation                                                      +1/-1      m_riemann_solvers.fpp Replace maxval with Re_size_max                                                    +1/-1      m_start_up.fpp Update cell bounds after startup                                                  +2/-0      m_viscous.fpp Use Re_size_max for viscous allocation                                      +1/-1

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[prathi-wind]

Should I make these new global parameters into a derived type like

 type cell_num_bounds
        !> @name Max and min number of cells in a direction of each combination of x-,y-, and z-
        !> @{
        integer :: mn_max, np_max, mp_max, mnp_max
        integer :: mn_min, np_min, mp_min, mnp_min
        !> @}   
end type cell_num_bounds

Or would you like them to be kept as separate variables?

[sbryngelson]

that would be fine i believe

[codecov]

Codecov Report

Attention: Patch coverage is 81.48148% with 5 lines in your changes missing coverage. Please review.

Project coverage is 43.76%. Comparing base (adcc0dd) to head (50aca4c).
Report is 4 commits behind head on master.

Files with missing lines	Patch %	Lines
src/common/m_variables_conversion.fpp	0.00%	1 Missing ⚠️
src/simulation/m_global_parameters.fpp	75.00%	1 Missing ⚠️
src/simulation/m_pressure_relaxation.fpp	0.00%	1 Missing ⚠️
src/simulation/m_riemann_solvers.fpp	0.00%	1 Missing ⚠️
src/simulation/m_viscous.fpp	0.00%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #850      +/-   ##
==========================================
+ Coverage   43.71%   43.76%   +0.05%     
==========================================
  Files          68       68              
  Lines       18360    18378      +18     
  Branches     2292     2292              
==========================================
+ Hits         8026     8044      +18     
  Misses       8945     8945              
  Partials     1389     1389              

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[qodo-merge-pro]

PR Reviewer Guide 🔍

Here are some key observations to aid the review process:

🎫 Ticket compliance analysis 🔶 803 - Partially compliant Compliant requirements: • Remove intrinsics from allocate statements (specifically max and maxval) • Store relevant quantities in variables in m_global_parameters • Replace @:ALLOCATE(Res(1:2, 1:maxval(Re_size))) with pre-computed variable Non-compliant requirements: • Replace the q_cons_buff_send allocate statement example (this specific case was not addressed in the PR) Requires further human verification: • Verify that all intrinsic usages in allocate statements have been identified and replaced • Confirm that the new approach doesn't introduce performance regressions

⏱️ Estimated effort to review: 3 🔵🔵🔵⚪⚪

🧪 No relevant tests

🔒 No security concerns identified

⚡ Recommended focus areas for review Possible Issue The subroutine s_update_cell_bounds is declared as pure elemental but has intent(out) parameter. This combination may cause compilation issues or unexpected behavior since elemental procedures with intent(out) parameters have specific constraints. pure elemental subroutine s_update_cell_bounds(bounds, m, n, p) type(cell_num_bounds), intent(out) :: bounds Logic Error The replacement uses cells_bounds%mnp_min and cells_bounds%mn_max but cells_bounds may not be properly initialized at this point in the code execution, potentially causing runtime errors or incorrect calculations. & (cells_bounds%mnp_min + 2*buff_size + 1)) else halo_size = -1 + buff_size*(v_size)* & & (cells_bounds%mn_max + 2*buff_size + 1) Duplicate Code The same pattern of calling s_update_cell_bounds(cells_bounds, m, n, p) is repeated across multiple modules (pre_process, post_process, simulation) in similar contexts, suggesting potential for consolidation. call s_update_cell_bounds(cells_bounds, m, n, p)

[qodo-merge-pro]

PR Code Suggestions ✨

Explore these optional code suggestions:

Category	Suggestion	Impact
General	Replace intrinsic with explicit comparison The maxval intrinsic should be avoided in allocation contexts as suggested by the PR title. Consider using an explicit comparison to determine the maximum value between Re_size(1) and Re_size(2). src/simulation/m_global_parameters.fpp [1045] -Re_size_max = maxval(Re_size) +Re_size_max = max(Re_size(1), Re_size(2)) Suggestion importance[1-10]: 6 __ Why: The suggestion correctly proposes replacing maxval(Re_size) with max(Re_size(1), Re_size(2)), which is more explicit and aligns with the PR's goal of removing maxval from allocation contexts.	Low
	Remove unnecessary elemental attribute The elemental attribute is unnecessary and potentially problematic for this subroutine since it operates on a derived type with multiple components. Remove elemental to avoid potential compilation issues and improve clarity. src/common/m_helper_basic.fpp [155-157] -pure elemental subroutine s_update_cell_bounds(bounds, m, n, p) +pure subroutine s_update_cell_bounds(bounds, m, n, p) type(cell_num_bounds), intent(out) :: bounds integer, intent(in) :: m, n, p Suggestion importance[1-10]: 4 __ Why: The suggestion correctly identifies that the elemental attribute is not utilized, as the subroutine is only called with scalar arguments, making its removal a valid code simplification.	Low
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