Add smoketests

smoketests/Project.toml

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+[deps]
+ADIOS2 = "e0ce9d3b-0dbd-416f-8264-ccca772f60ec"
+CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
+CairoMakie = "13f3f980-e62b-5c42-98c6-ff1f3baf88f0"
+GrayScott = "089a57ea-382b-4fd7-9f05-24902db6ec52"
+MPI = "da04e1cc-30fd-572f-bb4f-1f8673147195"
+
+[extras]
+MPIPreferences = "3da0fdf6-3ccc-4f1b-acd9-58baa6c99267"

smoketests/run_smoketest.jl

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+using TOML
+
+backend = ARGS[1]
+
+# Base configuration with fixed parameters
+base_config = Dict(
+    "Du" => 0.2,
+    "Dv" => 0.1,
+    "F" => 0.02,
+    "k" => 0.048,
+    "dt" => 1.0,
+    "plotgap" => 10,
+    "noise" => 0.1,
+    "checkpoint" => false,
+    "checkpoint_freq" => 700,
+    "checkpoint_output" => "ckpt.bp",
+    "restart" => false,
+    "restart_input" => "ckpt.bp",
+    "mesh_type" => "image",
+    "verbose" => false,
+)
+
+# Parameter ranges for grid search
+L_values = [2^i for i in 6:10]  # 8 to 1024 in powers of 2
+steps_values = [1000, 10000, 50000, 100000]
+precision_values = ["Float32", "Float64"]
+kernel_language_values = ["Plain", "KernelAbstractions"]
+
+# Create output directory if it doesn't exist
+mkpath("configs")
+
+# Counter for configurations
+config_count = 0
+
+# Generate all combinations and run simulations
+for L in L_values,
+    steps in steps_values,
+    precision in precision_values,
+    kernel_language in kernel_language_values
+
+    # Create a copy of base configuration
+    config = copy(base_config)
+
+    # Add variable parameters
+    config["L"] = L
+    config["steps"] = steps
+    config["precision"] = precision
+    config["backend"] = backend
+    config["kernel_language"] = kernel_language
+
+    # Generate unique output filename based on parameters
+    output_filename = "gs-$(backend)-$(L)L-$(precision).bp"
+    config["output"] = output_filename
+
+    # Create config filename
+    config_filename = "configs/config_$(config_count).toml"
+
+    # Write configuration to TOML file
+    open(config_filename, "w") do io
+        TOML.print(io, config)
+    end
+
+    # Run simulation with this configuration
+    if backend == "CUDA"
+        run_cmd = `julia --project -e 'import GrayScott, CUDA; GrayScott.main(ARGS)' $config_filename`
+    else
+        run_cmd = `julia --project -e 'import GrayScott; GrayScott.main(ARGS)' $config_filename`
+    end
+
+    # Print information about current run
+    println("Running configuration $config_count:")
+    println("L: $L, Steps: $steps, Precision: $precision, Backend: $backend, Kernel: $kernel_language")
+
+    # Run the simulation
+    run(run_cmd)
+    println("Successfully completed configuration $config_count")
+
+    global config_count += 1
+end
+
+println("Completed all $config_count configurations")

smoketests/smoke_cpu.sh

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+#!/bin/bash
+
+#SBATCH -J smoke_cpu
+#SBATCH -A ntrain1
+#SBATCH -q shared
+#SBATCH -C cpu
+#SBATCH -N 1
+#SBATCH -n 1
+#SBATCH -c 128
+#SBATCH -t 02:00:00
+#SBATCH -o smoke_cpu.log
+
+set -eu
+
+module load julia/1.10
+
+export JULIA_NUM_THREADS=128
+
+julia --project=$PWD run_smoketest.jl CPU

smoketests/smoke_cpu_mpi.sh

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+#!/bin/bash
+
+#SBATCH -J smoke_cmpi
+#SBATCH -A ntrain1
+#SBATCH -q shared
+#SBATCH -C cpu
+#SBATCH -N 1
+#SBATCH -n 2
+#SBATCH -c 64
+#SBATCH -t 02:00:00
+#SBATCH -o smoke_cpu_mpi.log
+
+set -eu
+
+module load julia/1.10
+
+export JULIA_NUM_THREADS=64
+
+srun julia --project=$PWD run_smoketest.jl CPU

smoketests/smoke_gpu.sh

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+#!/bin/bash
+
+#SBATCH -J smoke_gpu
+#SBATCH -A ntrain1
+#SBATCH -q shared
+#SBATCH -C gpu
+#SBATCH -N 1
+#SBATCH -n 1
+#SBATCH -c 32
+#SBATCH -t 02:00:00
+#SBATCH -o smoke_gpu.log
+
+set -eu
+
+module load julia/1.10
+
+export JULIA_NUM_THREADS=32
+
+julia --project=$PWD run_smoketest.jl CUDA

smoketests/smoke_gpu_mpi.sh

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+#!/bin/bash
+
+#SBATCH -J smoke_gmpi
+#SBATCH -A ntrain1
+#SBATCH -q shared
+#SBATCH -C gpu
+#SBATCH -n 2
+#SBATCH -c 32
+#SBATCH --gpus-per-task=1
+#SBATCH -t 02:00:00
+#SBATCH -o smoke_gpu_mpi.log
+
+set -eu
+
+module load julia/1.10
+
+export JULIA_NUM_THREADS=32
+
+srun julia --project=$PWD run_smoketest.jl CUDA

smoketests/visualize.jl

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+import ADIOS2
+import CairoMakie
+
+bp_file = "gs-1MPI-1GPU-64L-F32.bp"
+
+adios = ADIOS2.adios_init_serial()
+io = ADIOS2.declare_io(adios, "reader")
+reader = ADIOS2.open(io, bp_file, ADIOS2.mode_read)
+
+# get the number of available steps in the reader, only works for bp files
+steps = ADIOS2.steps(reader)
+npixels = 256
+local_count = 32
+
+# Grid is 1800x1800x1800. Use Tuples () for selection
+local_start = convert(Int64, ceil((npixels - local_count) / 2))
+start = (local_start, local_start, convert(Int64, ceil(npixels / 2)))
+count = (local_count, local_count, 1)
+sliceU = Array{Float32, 2}(undef, local_count, local_count)
+sliceV = Array{Float32, 2}(undef, local_count, local_count)
+
+for step in 1:steps
+    ADIOS2.begin_step(reader)
+
+    varU = ADIOS2.inquire_variable(io, "U")
+    @assert varU isa ADIOS2.Variable string("Could not find variable U")
+    ADIOS2.set_selection(varU, start, count)
+
+    varV = ADIOS2.inquire_variable(io, "U")
+    @assert varV isa ADIOS2.Variable string("Could not find variable V")
+    ADIOS2.set_selection(varV, start, count)
+
+    ADIOS2.get(reader, varU, sliceU)
+    ADIOS2.get(reader, varV, sliceV)
+    ADIOS2.end_step(reader)
+
+    println("Showing step ", step)
+
+    f = CairoMakie.Figure()
+    CairoMakie.heatmap(f[1, 1], sliceU)
+    CairoMakie.heatmap(f[1, 2], sliceV)
+    display(f)
+    CairoMakie.save(string("U_V_", step, ".png"), f)
+end
+
+ADIOS2.close(reader)
+ADIOS2.adios_finalize(adios)