Tweak the output configuration file schema and temp file naming

src/hpc_multibench/run_configuration.py

@@ -48,14 +48,18 @@ def sbatch_contents(self) -> str:
             sbatch_file += f"#SBATCH --{key}={value}\n"
         sbatch_file += f"#SBATCH --output={self.output_file}\n"
 
+        sbatch_file += "\necho '===== CONFIGURATION ====='\n"
         if len(self.module_loads) > 0:
+            sbatch_file += "echo '=== MODULE LOADS ==='\n"
             sbatch_file += "module purge\n"
             sbatch_file += f"module load {' '.join(self.module_loads)}\n"
 
+        if len(self.environment_variables) > 0:
+            sbatch_file += "echo '=== ENVIRONMENT VARIABLES ==='\n"
         for key, value in self.environment_variables.items():
             sbatch_file += f"export {key}={value}\n"
+            sbatch_file += f"echo '{key}={value}'\n"
 
-        sbatch_file += "\necho '===== CONFIGURATION ====='\n"
         sbatch_file += "echo '=== CPU ARCHITECTURE ==='\n"
         sbatch_file += "lscpu\n"
         sbatch_file += "echo '=== SLURM CONFIG ==='\n"
@@ -109,6 +113,7 @@ def run(self, dependencies: list[int] | None = None) -> int | None:
 
         # Create and run the temporary sbatch file via slurm
         with NamedTemporaryFile(
+            prefix=self.name,
             suffix=".sbatch", dir=Path("./"), mode="w+"
         ) as sbatch_tmp:
             sbatch_tmp.write(self.sbatch_contents)

yaml_examples/kudu/simple_rust.yaml

@@ -57,6 +57,7 @@ run_configurations:
 
 benches:
   "serial":
+    enabled: False
     run_configurations:
       - "cpp-reference"
       - "rust-reference"
@@ -68,7 +69,6 @@ benches:
         - "100 100 100"
         - "150 150 150"
         - "200 200 200"
-        # - "250 250 250"
     analysis:
       metrics:
         "Mesh x size": "nx: (\\d+)"
@@ -84,22 +84,19 @@ benches:
           y: "Wall time (s)"
 
   "parallel":
-    enabled: False
     run_configurations:
       - "cpp-openmp"
       - "rust-rayon"
     matrix:
       args:
+        - "50 50 50"
         - "100 100 100"
-        - "150 150 150"
         - "200 200 200"
-        - "250 250 250"
+        - "300 300 300"
       environment_variables:
         - {"OMP_NUM_THREADS": 1, "RAYON_NUM_THREADS": 1}
-        # - {"OMP_NUM_THREADS": 4, "RAYON_NUM_THREADS": 4}
         - {"OMP_NUM_THREADS": 16, "RAYON_NUM_THREADS": 16}
         - {"OMP_NUM_THREADS": 32, "RAYON_NUM_THREADS": 32}
-        # - {"OMP_NUM_THREADS": 64, "RAYON_NUM_THREADS": 64}
     analysis:
       metrics:
         "Mesh x size": "nx: (\\d+)"