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Merged
fgvangessel-umd merged 4 commits into from
May 27, 2025
+29 −8
Merged

Change the path to bashrc in Airfoil #135

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d58e981
Change the path to bashrc in Airfoil
ffelten May 14, 2025
29edc09
Updated singularity pull function to reflect Docker-Singularity namin…
fgvangessel-umd May 27, 2025
6cdfad1
Added additional mount location to address singularity requirement fo…
fgvangessel-umd May 27, 2025
d594d38
Updated formatting with ruff
fgvangessel-umd May 27, 2025
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13 changes: 7 additions & 6 deletions engibench/problems/airfoil/v0.py
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Original file line number Diff line number Diff line change
Expand Up @@ -210,6 +210,7 @@
# Docker target directory
# This is used for files that are mounted into the docker container
self.__docker_base_dir = "/home/mdolabuser/mount/engibench"
self.__docker_tmp_dir = "/tmp"

Check failure on line 213 in engibench/problems/airfoil/v0.py

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GitHub Actions / ruff

Ruff (S108) 

engibench/problems/airfoil/v0.py:213:33: S108 Probable insecure usage of temporary file or directory: "/tmp"
self.__docker_target_dir = self.__docker_base_dir + "/engibench_studies/problems/airfoil"

super().__init__()
Expand Down Expand Up @@ -296,7 +297,7 @@
# The script generates the mesh and FFD files
try:
bash_command = (
"source ~/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && python "
"source /home/mdolabuser/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && python "
+ self.__docker_study_dir
+ "/pre_process.py"
+ " > "
Expand All @@ -308,7 +309,7 @@
command=["/bin/bash", "-c", bash_command],
image=self.container_id,
name="machaero",
mounts=[(self.__local_base_directory, self.__docker_base_dir)],
mounts=[(self.__local_base_directory, self.__docker_base_dir), (self.__local_base_directory, self.__docker_tmp_dir)],
)

except Exception as e:
Expand Down Expand Up @@ -410,7 +411,7 @@
# The script takes a mesh and ffd and performs an optimization
try:
bash_command = (
"source ~/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && mpirun -np "
"source /home/mdolabuser/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && mpirun -np "
+ str(mpicores)
+ " python "
+ self.__docker_study_dir
Expand All @@ -423,7 +424,7 @@
command=["/bin/bash", "-c", bash_command],
image=self.container_id,
name="machaero",
mounts=[(self.__local_base_directory, self.__docker_base_dir)],
mounts=[(self.__local_base_directory, self.__docker_base_dir), (self.__local_base_directory, self.__docker_tmp_dir)],
)
except Exception as e:
raise RuntimeError(
Expand Down Expand Up @@ -484,7 +485,7 @@
# Launches a docker container with the optimize_airfoil.py script
# The script takes a mesh and ffd and performs an optimization
bash_command = (
"source ~/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && mpirun -np "
"source /home/mdolabuser/.bashrc_mdolab && cd /home/mdolabuser/mount/engibench && mpirun -np "
+ str(mpicores)
+ " python "
+ self.__docker_study_dir
Expand All @@ -497,7 +498,7 @@
command=["/bin/bash", "-c", bash_command],
image=self.container_id,
name="machaero",
mounts=[(self.__local_base_directory, self.__docker_base_dir)],
mounts=[(self.__local_base_directory, self.__docker_base_dir), (self.__local_base_directory, self.__docker_tmp_dir)],
)
except Exception as e:
raise RuntimeError(f"Optimization failed: {e!s}. Check logs in {self.__local_study_dir}") from e
Expand Down
24 changes: 22 additions & 2 deletions engibench/utils/container.py
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Original file line number Diff line number Diff line change
Expand Up @@ -230,9 +230,29 @@ def pull(cls, image: str) -> None:
Args:
image: Container image to pull.
"""
# Convert to docker URI if needed
if "://" not in image:
image = "docker://" + image
subprocess.run([cls.executable, "pull", image], check=True)
docker_uri = "docker://" + image
else:
docker_uri = image
# Extract just the image part if it's already a docker URI
if docker_uri.startswith("docker://"):
image = docker_uri[len("docker://"):]

# Parse the image name to match Singularity's naming convention
# For "mdolab/public:u22-gcc-ompi-stable", Singularity creates "public_u22-gcc-ompi-stable.sif"
image_name = image.split("/")[-1] if "/" in image else image

# Replace ":" with "_" in the image name
sif_filename = image_name.replace(":", "_") + ".sif"

# Check if the image already exists
if os.path.exists(sif_filename):
print(f"Image file already exists: {sif_filename} - skipping pull")
return

# Image doesn't exist, proceed with pull
subprocess.run([cls.executable, "pull", docker_uri], check=True)

@classmethod
def run(
Expand Down
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