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.cursor/rules/mfc-agent-rules.mdc

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Original file line numberDiff line numberDiff line change
@@ -4,29 +4,27 @@ alwaysApply: true
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---
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# 0 Purpose & Scope
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Consolidated guidance for the MFC exascale, many-physics solver.
8-
Written primarily for Fortran/Fypp; the OpenACC and style sections matter only when
9-
`.fpp` / `.f90` files are in view.
7+
Consolidated guidance for the MFC exascale, many-physics solver.
8+
Written primarily for Fortran/Fypp; the GPU and style sections matter only when `.fpp` / `.f90` files are in view.
109

1110
---
1211

1312
# 1 Global Project Context (always)
14-
- **Project**: *MFC* is modern Fortran 2008+ generated with **Fypp**.
15-
- Sources `src/`, tests `tests/`, examples `examples/`.
16-
- Most sources are `.fpp`; CMake transpiles them to `.f90`.
17-
- **Fypp macros** live in `src/<subprogram>/include/` you should scan these first.
18-
`<subprogram>` ∈ {`simulation`,`common`,`pre_process`,`post_process`}.
19-
- Only `simulation` (+ its `common` calls) is GPU-accelerated via **OpenACC**.
20-
- Assume free-form Fortran 2008+, `implicit none`, explicit `intent`, and modern
21-
intrinsics.
22-
- Prefer `module … contains … subroutine foo()`; avoid `COMMON` blocks and
23-
file-level `include` files.
24-
- **Read the full codebase and docs *before* changing code.**
25-
Docs: <https://mflowcode.github.io/documentation/md_readme.html> and the respository root `README.md`.
13+
- **Project**: *MFC* is modern Fortran 2008+ generated with **Fypp**.
14+
- Sources `src/`, tests `tests/`, examples `examples/`.
15+
- Most sources are `.fpp`; CMake transpiles them to `.f90`.
16+
- **Fypp macros** live in `src/<subprogram>/include/` you should scan these first.
17+
`<subprogram>` ∈ {`simulation`,`common`,`pre_process`,`post_process`}.
18+
- Only `simulation` (+ its `common` calls) is GPU-accelerated via **OpenACC** or **OpenMP**.
19+
- Assume free-form Fortran 2008+, `implicit none`, explicit `intent`, and modern intrinsics.
20+
- Prefer `module … contains … subroutine foo()`; avoid `COMMON` blocks and file-level `include` files.
21+
- **Read the full codebase and docs *before* changing code.**
22+
- Docs: <https://mflowcode.github.io/documentation/md_readme.html> and the repository root `README.md`.
2623

2724
### Incremental-change workflow
28-
1. Draft a step-by-step plan.
29-
2. After each step, build:
25+
26+
1. Draft a step-by-step plan.
27+
2. After each step, build:
3028
```bash
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./mfc.sh build -t pre_process simulation -j $(nproc)
3230
```
@@ -49,34 +47,131 @@ Written primarily for Fortran/Fypp; the OpenACC and style sections matter only w
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* Subroutine → `s_<verb>_<noun>` (e.g. `s_compute_flux`)
5048
* Function → `f_<verb>_<noun>`
5149
* Private helpers stay in the module; avoid nested procedures.
52-
* **Size limits**: subroutine ≤ 500 lines, helper ≤ 150, function ≤ 100,
53-
module/file ≤ 1000.
54-
* ≤ 6 arguments per routine; otherwise pass a derived-type “params” struct.
50+
* **Size limits**: subroutine ≤ 500 lines, helper ≤ 150, function ≤ 100, module/file ≤ 1000.
51+
* ≤ 6 arguments per routine; otherwise pass a derived-type "params" struct.
5552
* No `goto` (except unavoidable legacy); no global state (`COMMON`, `save`).
56-
* Every variable: `intent(in|out|inout)` + appropriate `dimension` / `allocatable`
57-
/ `pointer`.
53+
* Every variable: `intent(in|out|inout)` + appropriate `dimension` / `allocatable` / `pointer`.
5854
* Use `s_mpi_abort(<msg>)` for errors, not `stop`.
59-
* Mark OpenACC-callable helpers that are called from OpenACC parallel loops immediately after declaration:
55+
* Mark GPU-callable helpers that are called from GPU parallel loops immediately after declaration:
6056
```fortran
6157
subroutine s_flux_update(...)
62-
!$acc routine seq
58+
$:GPU_ROUTINE(function_name='s_flux_update', parallelism='[seq]')
6359
...
6460
end subroutine
6561
```
6662

6763
---
6864

69-
# 3 OpenACC Programming Guidelines (for kernels)
65+
# 3 File & Module Structure
7066

71-
Wrap tight loops with
67+
- **File Naming**:
68+
- `.fpp` files: Fypp preprocessed files that get translated to `.f90`
69+
- Modules are named with `m_` prefix followed by feature name: `m_helper_basic`, `m_viscous`
70+
- Primary program file is named `p_main.fpp`
71+
72+
- **Module Layout**:
73+
- Start with Fypp include for macros: `#:include 'macros.fpp'`
74+
- Header comments using `!>` style documentation
75+
- `module` declaration with name matching filename
76+
- `use` statements for dependencies
77+
- `implicit none` statement
78+
- `private` declaration followed by explicit `public` exports
79+
- `contains` section
80+
- Implementation of subroutines and functions
81+
82+
---
83+
84+
# 4 Fypp Macros
85+
86+
- **Fypp Directives**:
87+
- Start with `#:` (e.g., `#:include`, `#:def`, `#:enddef`)
88+
- Macros defined in `include/*.fpp` files
89+
- Used for code generation, conditional compilation, and GPU offloading
90+
91+
---
7292

93+
# 5 FYPP Macros for GPU Acceleration Programming Guidelines (for GPU kernels)
94+
95+
- Do not use OpenACC or OpenMP directives directly.
96+
- Instead, use the FYPP macros contained in `src/common/include/parallel_macros.fpp`
97+
- Documentation on how to use the Fypp macros for GPU offloading is available at https://mflowcode.github.io/documentation/md_gpuParallelization.html
98+
99+
Wrap tight loops with
73100
```fortran
74-
!$acc parallel loop gang vector default(present) reduction(...)
101+
$:GPU_PARALLEL_FOR(private='[...]', copy='[...]')
75102
```
76-
* Add `collapse(n)` to merge nested loops when safe.
77-
* Declare loop-local variables with `private(...)`.
103+
* Add `collapse=n` to merge nested loops when safe.
104+
* Declare loop-local variables with `private='[...]'`.
78105
* Allocate large arrays with `managed` or move them into a persistent
79-
`!$acc enter data` region at start-up.
106+
`$:GPU_ENTER_DATA(...)` region at start-up.
80107
* **Do not** place `stop` / `error stop` inside device code.
81-
* Must compile with Cray `ftn` and NVIDIA `nvfortran` for GPU offloading; also build CPU-only with
108+
* Must compile with Cray `ftn` or NVIDIA `nvfortran` for GPU offloading; also build CPU-only with
82109
GNU `gfortran` and Intel `ifx`/`ifort`.
110+
111+
- Example GPU macros include the below, among others:
112+
- `$:GPU_ROUTINE(parallelism='[seq]')` - Marks GPU-callable routines
113+
- `$:GPU_PARALLEL_LOOP(collapse=N)` - Parallelizes loops
114+
- `$:GPU_LOOP(parallelism='[seq]')` - Marks sequential loops
115+
- `$:GPU_UPDATE(device='[var1,var2]')` - Updates device data
116+
- `$:GPU_ENTER_DATA(copyin='[var]')` - Copies data to device
117+
- `$:GPU_EXIT_DATA(delete='[var]')` - Removes data from device
118+
119+
---
120+
121+
# 6 Documentation Style
122+
123+
- **Subroutine/Function Documentation**:
124+
```fortran
125+
!> This procedure <description>
126+
!! @param param_name Description of the parameter
127+
!! @return Description of the return value (for functions)
128+
```
129+
which conforms to the Doxygen Fortran format.
130+
131+
# 7 Error Handling
132+
133+
- **Assertions**:
134+
- Use the fypp `ASSERT` macro for validating conditions
135+
- Example: `@:ASSERT(predicate, message)`
136+
137+
- **Error Reporting**:
138+
- Use `s_mpi_abort(error_message)` for error termination, not `stop`
139+
- No `stop` / `error stop` inside device code
140+
141+
# 8 Memory Management
142+
143+
- **Allocation/Deallocation**:
144+
- Use fypp macro `@:ALLOCATE(var1, var2)` macro for device-aware allocation
145+
- Use fypp macro `@:DEALLOCATE(var1, var2)` macro for device-aware deallocation
146+
147+
# 9. Additional Observed Patterns
148+
149+
- **Derived Types**:
150+
- Extensive use of derived types for encapsulation
151+
- Use pointers within derived types (e.g., `pointer, dimension(:,:,:) => null()`)
152+
- Clear documentation of derived type components
153+
154+
- **Pure & Elemental Functions**:
155+
- Use `pure` and `elemental` attributes for side-effect-free functions
156+
- Combine them for operations on arrays (`pure elemental function`)
157+
158+
- **Precision Handling**:
159+
- Use `wp` (working precision) parameter from `m_precision_select`
160+
- Never hardcode precision with `real*8` or similar
161+
162+
- **Loop Optimization**:
163+
- Favor array operations over explicit loops when possible
164+
- Use `collapse=N` directive to optimize nested loops
165+
166+
# 10. Fortran Practices to Avoid
167+
168+
- **Fixed Format**: Only free-form Fortran is used
169+
- No column-position dependent code
170+
171+
- **Older Intrinsics**: Avoid outdated Fortran features like:
172+
- `equivalence` statements
173+
- `data` statements (use initialization expressions)
174+
- Character*N (use `character(len=N)` instead)
175+
176+
- **Using same variable for multiple purposes**: Maintain single responsibility
177+
- Each variable should have one clear purpose

.fortlsrc

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"MFC_DOUBLE_PRECISION": 1
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},
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"lowercase_intrinsics": true,
32-
"debug_log": true,
32+
"debug_log": false,
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"disable_diagnostics": false,
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"use_signature_help": true,
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"variable_hover": true,
@@ -93,4 +93,4 @@
9393
"**/m_nvtx*",
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"**/syscheck.fpp"
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]
96-
}
96+
}

.github/workflows/frontier/submit-bench.sh

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#SBATCH -A CFD154 # charge account
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#SBATCH -N 1 # Number of nodes required
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$sbatch_device_opts
35-
#SBATCH -t 01:59:00 # Duration of the job (Ex: 15 mins)
35+
#SBATCH -t 02:59:00 # Duration of the job (Ex: 15 mins)
3636
#SBATCH -o$job_slug.out # Combined output and error messages file
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#SBATCH -p extended # Extended partition for shorter queues
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#SBATCH -W # Do not exit until the submitted job terminates.

.github/workflows/frontier/submit.sh

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#SBATCH -A CFD154 # charge account
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#SBATCH -N 1 # Number of nodes required
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$sbatch_device_opts
36-
#SBATCH -t 01:59:00 # Duration of the job (Ex: 15 mins)
36+
#SBATCH -t 02:59:00 # Duration of the job (Ex: 15 mins)
3737
#SBATCH -o$job_slug.out # Combined output and error messages file
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#SBATCH -p extended # Extended partition for shorter queues
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#SBATCH -W # Do not exit until the submitted job terminates.

.github/workflows/phoenix/submit-bench.sh

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EOT
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)
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72-
echo "🚀 Submitted SLURM job $JOBID"
72+
echo "Submitted: SLURM job $JOBID"
7373

7474
# if this wrapper is killed/canceled, make sure SLURM job is cleaned up
7575
trap '[[ -n "${JOBID:-}" ]] && scancel "$JOBID" >/dev/null 2>&1 || :' EXIT
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8686

8787
# If it’s one of SLURM’s terminal states, break immediately
8888
case "$STATE" in
89-
COMPLETED|FAILED|CANCELLED|TIMEOUT)
90-
echo " SLURM job $JOBID reached terminal state: $STATE"
89+
COMPLETED|FAILED|CANCELLED|TIMEOUT|PREEMPTED)
90+
echo "Completed: SLURM job $JOBID reached terminal state: $STATE"
9191
break
9292
;;
9393
"")
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echo " SLURM job $JOBID no longer in queue; assuming finished"
94+
echo "Completed: SLURM job $JOBID no longer in queue; assuming finished"
9595
break
9696
;;
9797
*)
98-
echo " SLURM job $JOBID state: $STATE"
98+
echo "Waiting: SLURM job $JOBID state: $STATE"
9999
sleep 10
100100
;;
101101
esac
102102
done
103103

104104
# Now retrieve the exit code and exit with it
105105
EXIT_CODE=$(sacct -j "$JOBID" --noheader --format=ExitCode | head -1 | cut -d: -f1)
106-
echo "🔚 SLURM job $JOBID exit code: $EXIT_CODE"
106+
echo "Completed: SLURM job $JOBID exit code: $EXIT_CODE"
107107
exit "$EXIT_CODE"

.github/workflows/phoenix/submit.sh

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EOT
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)
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65-
echo "🚀 Submitted SLURM job $JOBID"
65+
echo "Submitted: SLURM job $JOBID"
6666

6767
# if this wrapper is killed/canceled, make sure SLURM job is cleaned up
6868
trap '[[ -n "${JOBID:-}" ]] && scancel "$JOBID" >/dev/null 2>&1 || :' EXIT
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8080
# If it’s one of SLURM’s terminal states, break immediately
8181
case "$STATE" in
82-
COMPLETED|FAILED|CANCELLED|TIMEOUT)
83-
echo " SLURM job $JOBID reached terminal state: $STATE"
82+
COMPLETED|FAILED|CANCELLED|TIMEOUT|PREEMPTED)
83+
echo "Completed: SLURM job $JOBID reached terminal state: $STATE"
8484
break
8585
;;
8686
"")
87-
echo " SLURM job $JOBID no longer in queue; assuming finished"
87+
echo "Completed: SLURM job $JOBID no longer in queue; assuming finished"
8888
break
8989
;;
9090
*)
91-
echo " SLURM job $JOBID state: $STATE"
91+
echo "Waiting: SLURM job $JOBID state: $STATE"
9292
sleep 10
9393
;;
9494
esac
9595
done
9696

9797
# Now retrieve the exit code and exit with it
9898
EXIT_CODE=$(sacct -j "$JOBID" --noheader --format=ExitCode | head -1 | cut -d: -f1)
99-
echo "🔚 SLURM job $JOBID exit code: $EXIT_CODE"
99+
echo "Completed: SLURM job $JOBID exit code: $EXIT_CODE"
100100
exit "$EXIT_CODE"

CMakeLists.txt

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135135
if (CMAKE_BUILD_TYPE STREQUAL "Debug")
136136
add_compile_options(
137137
-Wall
138-
-Wextra
138+
-Wextra
139139
-fcheck=all,no-array-temps
140140
-fbacktrace
141141
-fimplicit-none
142142
-fsignaling-nans
143143
-finit-real=snan
144144
-finit-integer=-99999999
145-
-Wintrinsic-shadow
146-
-Wunderflow
147-
-Wrealloc-lhs
148-
-Wsurprising
145+
-Wintrinsic-shadow
146+
-Wunderflow
147+
-Wrealloc-lhs
148+
-Wsurprising
149149
)
150150
endif()
151151

@@ -163,6 +163,7 @@ elseif (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray")
163163
"SHELL:-h acc_model=auto_async_none"
164164
"SHELL: -h acc_model=no_fast_addr"
165165
"SHELL: -h list=adm"
166+
"SHELL: -munsafe-fp-atomics" # Not unsafe for operations we do
166167
)
167168

168169
add_link_options("SHELL:-hkeepfiles")
@@ -172,7 +173,6 @@ elseif (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray")
172173
"SHELL:-h acc_model=auto_async_none"
173174
"SHELL: -h acc_model=no_fast_addr"
174175
"SHELL: -K trap=fp" "SHELL: -G2"
175-
176176
)
177177
add_link_options("SHELL: -K trap=fp" "SHELL: -G2")
178178
endif()
@@ -200,10 +200,10 @@ elseif ((CMAKE_Fortran_COMPILER_ID STREQUAL "NVHPC") OR (CMAKE_Fortran_COMPILER_
200200
if (CMAKE_BUILD_TYPE STREQUAL "Debug")
201201
add_compile_options(
202202
$<$<COMPILE_LANGUAGE:Fortran>:-O0>
203-
$<$<COMPILE_LANGUAGE:Fortran>:-C>
203+
$<$<COMPILE_LANGUAGE:Fortran>:-C>
204204
$<$<COMPILE_LANGUAGE:Fortran>:-g>
205-
$<$<COMPILE_LANGUAGE:Fortran>:-traceback>
206-
$<$<COMPILE_LANGUAGE:Fortran>:-Minform=inform>
205+
$<$<COMPILE_LANGUAGE:Fortran>:-traceback>
206+
$<$<COMPILE_LANGUAGE:Fortran>:-Minform=inform>
207207
$<$<COMPILE_LANGUAGE:Fortran>:-Mbounds>
208208
)
209209
endif()

README.md

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@@ -155,6 +155,8 @@ They are organized below.
155155
* Runge-Kutta orders 1-3 (SSP TVD), adaptive time stepping
156156
* RK4-5 operator splitting for Euler-Lagrange modeling
157157
* Interface sharpening (THINC-like)
158+
* Information geometric regularization (IGR)
159+
* Shock capturing without WENO and Riemann solvers
158160

159161
### Large-scale and accelerated simulation
160162

benchmarks/5eq_rk3_weno3_hllc/case.py

Lines changed: 2 additions & 2 deletions
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@@ -188,8 +188,8 @@
188188
"cyl_coord": "F",
189189
"dt": dt,
190190
"t_step_start": 0,
191-
"t_step_stop": int(30 * (95 * size + 5)),
192-
"t_step_save": int(30 * (95 * size + 5)),
191+
"t_step_stop": int(20 * (5 * size + 5)),
192+
"t_step_save": int(20 * (5 * size + 5)),
193193
# Simulation Algorithm Parameters
194194
"num_patches": 3,
195195
"model_eqns": 2,

benchmarks/hypo_hll/case.py

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4141
"p": Nz,
4242
"dt": 1e-8,
4343
"t_step_start": 0,
44-
"t_step_stop": int(30 * (95 * size + 5)),
45-
"t_step_save": int(30 * (95 * size + 5)),
44+
"t_step_stop": int(20 * (5 * size + 5)),
45+
"t_step_save": int(20 * (5 * size + 5)),
4646
# Simulation Algorithm Parameters
4747
"num_patches": 2,
4848
"model_eqns": 2,

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