Replace intrinsics in allocate statements #850

prathi-wind · 2025-05-29T17:48:49Z

User description

Description

Replace instrinsics in allocate statements and save them in global parameters

Fixes #803

Type of change

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

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How Has This Been Tested?

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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

PR Type

Enhancement

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

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"]

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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src/simulation/m_start_up.fpp

src/simulation/m_mpi_proxy.fpp

prathi-wind · 2025-05-29T18:18:32Z

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 · 2025-05-29T18:27:59Z

that would be fine i believe

codecov · 2025-05-29T19:54:03Z

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 · 2025-07-14T15:39:52Z

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 + 2buff_size + 1)) else halo_size = -1 + buff_size(v_size)* & & (cells_bounds%mn_max + 2buff_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 · 2025-07-14T15:40:26Z

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
General	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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sbryngelson reviewed May 29, 2025

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sbryngelson reviewed May 29, 2025

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prathi-wind marked this pull request as ready for review May 30, 2025 18:05

prathi-wind requested a review from a team as a code owner May 30, 2025 18:05

prathi-wind requested a review from a team as a code owner July 13, 2025 20:44

prathi-wind marked this pull request as draft July 13, 2025 20:44

Save allocate instrinsics

6b9a28c

prathi-wind force-pushed the alloc branch from 32b1d99 to 6b9a28c Compare July 14, 2025 01:17

prathi-wind and others added 2 commits July 13, 2025 21:20

Merge branch 'master' into alloc

8830169

Ran formatter

50aca4c

sbryngelson approved these changes Jul 14, 2025

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prathi-wind marked this pull request as ready for review July 14, 2025 15:39

qodo-merge-pro bot added the Review effort 3/5 label Jul 14, 2025

sbryngelson merged commit 293557c into MFlowCode:master Jul 14, 2025
33 checks passed

prathi-wind deleted the alloc branch July 18, 2025 22:29

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Replace intrinsics in allocate statements #850

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