MERGE

.github/workflows/docker.yml

@@ -13,7 +13,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Login to Docker Hub
       uses: docker/login-action@v2

.github/workflows/docs.yml

@@ -18,7 +18,7 @@ jobs:
       cancel-in-progress: true
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     # We build doxygen from source because of
     # https://github.com/doxygen/doxygen/issues/9016

.github/workflows/lint.yml

@@ -13,7 +13,7 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Lint the toolchain
       run: ./mfc.sh lint

.github/workflows/phoenix/bench.sh

@@ -8,4 +8,8 @@ if [ "$job_device" == "gpu" ]; then
     device_opts="--gpu -g $gpu_ids"
 fi
 
-./mfc.sh bench -j $(nproc) -o "$job_slug.yaml" -- -c phoenix $device_opts -n $n_ranks
+if ["$job_device" == "gpu"]; then
+    ./mfc.sh bench --mem 8 -j $(nproc) -o "$job_slug.yaml" -- -c phoenix $device_opts -n $n_ranks
+else
+    ./mfc.sh bench --mem 1 -j $(nproc) -o "$job_slug.yaml" -- -c phoenix $device_opts -n $n_ranks
+fi

.github/workflows/pretty.yml

@@ -13,9 +13,9 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Check formatting
       run: |
-        ./mfc.sh format
+        ./mfc.sh format -j $(nproc)
         git diff --exit-code

.github/workflows/spelling.yml

@@ -9,7 +9,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
     - name: Checkout
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Spell Check
       uses: crate-ci/typos@master

.github/workflows/test.yml

@@ -33,7 +33,7 @@ jobs:
     runs-on: ${{ matrix.os }}-latest
     steps:
       - name: Clone
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Setup MacOS
         if:   matrix.os == 'macos'
@@ -46,10 +46,7 @@ jobs:
       - name: (MacOS) Build OpenMPI
         if:   matrix.os == 'macos' && matrix.mpi == 'mpi'
         run: |
-          echo "OMPI_FC=gfortran-13" >> $GITHUB_ENV
-          echo "OMPI_CXX=g++-13"     >> $GITHUB_ENV
-          echo "OMPI_MPICC=gcc-13"   >> $GITHUB_ENV
-          HOMEBREW_MAKE_JOBS=$(nproc) brew install --cc=gcc-13 --verbose --build-from-source open-mpi
+          brew install mpich
 
       - name: Setup Ubuntu
         if:   matrix.os == 'ubuntu' && matrix.intel == false
@@ -96,7 +93,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
     - name: Clone
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Test
       run:  sudo ./mfc.sh docker ./mfc.sh test -j $(nproc) -a

.gitignore

@@ -52,4 +52,30 @@ examples/*/*.err
 examples/*/viz/
 examples/*.jpg
 examples/*.png
+
+benchmarks/*batch/*/
+benchmarks/*/D/*
+benchmarks/*/p*
+benchmarks/*/D_*
+benchmarks/*/*.inf
+benchmarks/*/*.inp
+benchmarks/*/*.dat
+benchmarks/*/*.o*
+benchmarks/*/silo*
+benchmarks/*/restart_data*
+benchmarks/*/*.out
+benchmarks/*/binary
+benchmarks/*/fort.1
+benchmarks/*/*.sh
+benchmarks/*/*.err
+benchmarks/*/viz/
+benchmarks/*.jpg
+benchmarks/*.png
+
 *.mod
+
+# Video Files
+*.mp4
+*.mov
+*.mkv
+*.avi

.vscode/settings.json

@@ -11,7 +11,8 @@
 
     "cmake.configureOnOpen": false,
 
+    "python.defaultInterpreterPath": "${workspaceFolder}/build/venv/bin/python3",
+
     "fortran.preferredCase":       "lowercase",
     "fortran.linter.includePaths": [ "${workspacefolder}/src/**" ],
-    "fortran.linter.fypp.enabled": true
 }

CMakeLists.txt

@@ -111,7 +111,8 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
             -fcheck=all,no-array-temps
             -fbacktrace
             -fimplicit-none
-        )
+            #-ffpe-trap=invalid,zero,denormal,overflow
+	)
     endif()
 
     if (CMAKE_Fortran_COMPILER_VERSION VERSION_GREATER 10)

README.md

@@ -39,24 +39,37 @@ MFC can execute high-fidelity simulations of shock-droplet interaction (see `exa
     <img src="docs/res/shockdrop.png" alt="Shock Droplet Example" width="700"/>
 </p>
 
+Another example is the high-Mach flow over an airfoil, shown below.
+
+<p align="center">
+    <img src="docs/res/airfoil.png" alt="Airfoil Example" width="700"/><br/>
+</p>
+
+
 ## Getting started
 
 You can navigate [to this webpage](https://mflowcode.github.io/documentation/md_getting-started.html) to get started using MFC!
 It's rather straightforward.
-
 We'll give a brief intro. here for MacOS.
 Using [brew](https://brew.sh), install MFC's modest set of dependencies:
 ```console
-brew install wget make python make cmake coreutils gcc openmpi
+brew install wget python cmake gcc@13 mpich
 ```
 You're now ready to build and test MFC!
-Clone it to a convenient directory via
+Put it to a convenient directory via
 ```console
 git clone https://github.com/mflowcode/MFC.git
 cd MFC
 ```
-then build and test!
+and make sure MFC knows what compilers to use by putting the following in your `~/.profile`
+```console
+export CC=gcc-13
+export CXX=g++-13
+export FC=gfortran-13
+```
+and source that file, build, and test!
 ```console
+source ~/.profile
 ./mfc.sh build -j 8
 ./mfc.sh test -j 8
 ```

benchmarks/3D_shockdroplet/case.py → benchmarks/5eq_rk3_weno3_hllc/case.py

@@ -1,7 +1,32 @@
 #!/usr/bin/env python3
 
-import math
-import json
+# Benchmark model_equations_2_time_stepper_3_weno_order_3_riemann_solver_2
+# Additional Benchmarked Features
+# - model_equations : 2
+# - time_stepper : 3
+# - weno_order : 3
+# - riemann_solver : 2
+
+import json, math, argparse
+
+parser = argparse.ArgumentParser(
+    prog="Benchmarking Case 1",
+    description="This MFC case was created for the purposes of benchmarking MFC.",
+    formatter_class=argparse.ArgumentDefaultsHelpFormatter)
+
+parser.add_argument("dict", type=str, metavar="DICT", help=argparse.SUPPRESS)
+parser.add_argument("gbpp", type=int, metavar="MEM", default=16, help="Adjusts the problem size per rank to fit into [MEM] GB of GPU memory per GPU.")
+
+ARGS = vars(parser.parse_args())
+DICT = json.loads(ARGS["dict"])
+
+size = 1 if DICT["gpu"] else 0
+
+ppg    = 8000000 / 16.0
+procs  = DICT["nodes"] * DICT["tasks_per_node"]
+ncells = math.floor(ppg * procs * ARGS["gbpp"])
+s      = math.floor((ncells / 2.0) ** (1/3))
+Nx, Ny, Nz = 2*s, s, s
 
 # athmospheric pressure - Pa (used as reference value)
 patm = 101325
@@ -13,10 +38,9 @@
 CtD = 0.06
 
 # cavity relative eccentricity (distance between radii)
-ecc = 0.564              
+ecc = 0.564
 
-# initial shock distance from the y axis. Note that the droplet center is located at y = 0. 
-# Thus, the distance from the shock to 
+# initial shock distance from the y axis. Note that the droplet center is located at y = 0. Thus, the distance from the shock to
 # the droplet is about D0/8
 ISD = 5.0/8 * D0
 
@@ -26,10 +50,10 @@
 p0a = patm
 
 # density - kg/m3
-rho0a = 1.204 
+rho0a = 1.204
 
 # gamma
-gama = 1.40 
+gama = 1.40
 
 # pi infinity - Pa
 pia = 0
@@ -52,15 +76,15 @@
 rho0w = 1000
 
 # gama
-gamw = 6.12 
+gamw = 6.12
 
 # pi infty - Pa
 piw = 3.43E+08
 
 # speed of sound - m/s
 c_w = math.sqrt( gamw * ( p0w + piw ) / rho0w )
 
-# Shock Mach number of interest. Note that the post-shock properties can be defined in terms of either 
+# Shock Mach number of interest. Note that the post-shock properties can be defined in terms of either
 # Min or psOp0a. Just comment/uncomment appropriatelly
 Min = 2.4
 
@@ -71,7 +95,7 @@
 # psOp0a = 4.5
 
 # density
-rhosOrho0a = ( 1 + ( gama + 1 ) / ( gama - 1) * psOp0a ) / ( ( gama + 1 ) / ( gama - 1) + psOp0a ) 
+rhosOrho0a = ( 1 + ( gama + 1 ) / ( gama - 1) * psOp0a ) / ( ( gama + 1 ) / ( gama - 1) + psOp0a )
 
 # Mach number of the shocked region - just a checker, as it must return "Min"
 Ms = math.sqrt( ( gama + 1. ) / ( 2. * gama ) * ( psOp0a - 1. ) * ( p0a / ( p0a + pia ) ) + 1. )
@@ -88,7 +112,7 @@
 rhos = rhosOrho0a * rho0a
 
 # post shock speed of sound - m/s
-c_s = math.sqrt( gama * (ps + pia) / rhos )                           
+c_s = math.sqrt( gama * (ps + pia) / rhos )
 
 # velocity at the post shock - m/s
 vel = c_a/gama * (psOp0a - 1.) * p0a / ( p0a + pia ) / Ms
@@ -111,21 +135,12 @@
 ze =  10 * D0
 
 # Stretching factor, to make sure the domaing is sufficiently large after the mesh stretch
-StF = 4.0                                                                             
-
-# number of elements into y direction
-Ny = 100
-
-# number of elements into z direction
-Nz = 100
-
-# number of elements into x direction
-Nx = Ny * 2
+StF = 4.0
 
 # grid delta x if mesh were uniform in x direction - m. Note that I do not need a measure for dy
 dx = ( xe - xb ) / Nx
 
-# I calculating tend twice; first is an estimate, second is
+# I calculate tend twice; first is an estimate, second is
 # the actual value used. This is because I am getting errors in the
 # post process part every time I approximate the actual Nt by an integer
 # number (think of a smarter way).
@@ -137,12 +152,10 @@
 # mismatches in simulation and post_process parts. Note that I wrote it this way so I have better control over the # of autosaves
 tendA = ttilde * D0 / vel
 
-# "CFL" number that I use to control both temporal and spatial discretizations, such that the ratio dx/dt remains constant for a given
-# simulation
-cfl = 0.05
+cfl = 0.1
 
 # time-step - s
-dt = cfl * dx/ ss  
+dt = dx * cfl/ ss
 
 # Save Frequency. Note that the number of autosaves will be SF + 1, as th IC (0.dat) is also saved
 SF = 400
@@ -173,26 +186,14 @@
     'y_domain%end'                 : ye,
     'z_domain%beg'                 : zb,
     'z_domain%end'                 : ze,
-    'stretch_x'                    : 'T',
-    'a_x'                          : 20,
-    'x_a'                          : -1.2 * D0,
-    'x_b'                          :  1.2 * D0,
-    'stretch_y'                    : 'T',
-    'a_y'                          : 20,
-    'y_a'                          : -0.0 * D0,
-    'y_b'                          :  1.2 * D0,
-    'stretch_z'                    : 'T',
-    'a_z'                          : 20,
-    'z_a'                          : -0.0 * D0,
-    'z_b'                          :  1.2 * D0,
     'm'                            : Nx,
     'n'                            : Ny,
     'p'                            : Nz,
     'cyl_coord'                    : 'F',
     'dt'                           : dt,
     't_step_start'                 : 0,
-    't_step_stop'                  : 100,
-    't_step_save'                  : 100,
+    't_step_stop'                  : int(60*(95*size + 5)),
+    't_step_save'                  : int(12*(95*size + 5)),
     # ==========================================================
 
     # Simulation Algorithm Parameters ==========================
@@ -211,7 +212,7 @@
     'mapped_weno'                  : 'T',
     'riemann_solver'               : 2,
     'wave_speeds'                  : 1,
-    'avg_state'			           : 2,
+    'avg_state'	                   : 2,
     'bc_x%beg'                     : -6,
     'bc_x%end'                     : -6,
     'bc_y%beg'                     : -2,
@@ -226,7 +227,7 @@
     'prim_vars_wrt'                :'T',
     'parallel_io'                  :'T',
     # ==========================================================
-    # I will use 1 for WATER properties, and 2 for AIR properties                                                            
+    # I will use 1 for WATER properties, and 2 for AIR properties
     # Patch 1: Background (AIR - 2) =============================
     'patch_icpp(1)%geometry'       : 9,
     'patch_icpp(1)%x_centroid'     : (xb+xe) / 2 * StF,
@@ -280,7 +281,6 @@
     'patch_icpp(3)%alpha(1)'       : 1.0E+00,
     'patch_icpp(3)%alpha(2)'       : 0.0E+00,
     # ==========================================================
-
 
     # Fluids Physical Parameters ===============================
     'fluid_pp(1)%gamma'            : 1.0E+00/(gamw-1),
@@ -291,3 +291,4 @@
 }))
 
 # ==============================================================================
+