From 4df32c9e7be9219df06f25eda6defbc8736ff08e Mon Sep 17 00:00:00 2001
From: Sven Marcus <sven.marcus@tu-braunschweig.de>
Date: Thu, 15 Sep 2022 14:12:23 +0200
Subject: [PATCH] Adds hpc-rocket config. Python bindings don't need CUDA if
only CPU. Multistage PoiseuilleTestContainer
---
.../poiseuille/PoiseuilleTestContainer.def | 30 +++++++++++++++++--
.../poiseuille/simulation_runner.py | 2 +-
Python/SlurmTests/poiseuille/slurm.job | 5 +++-
pythonbindings/CMakeLists.txt | 9 +++++-
rocket.yml | 23 ++++++++++++++
5 files changed, 63 insertions(+), 6 deletions(-)
create mode 100644 rocket.yml
diff --git a/Python/SlurmTests/poiseuille/PoiseuilleTestContainer.def b/Python/SlurmTests/poiseuille/PoiseuilleTestContainer.def
index a3836e790..a275c88a6 100644
--- a/Python/SlurmTests/poiseuille/PoiseuilleTestContainer.def
+++ b/Python/SlurmTests/poiseuille/PoiseuilleTestContainer.def
@@ -1,11 +1,13 @@
BootStrap: docker
From: ubuntu:20.04
+Stage: build
%files
3rdParty 3rdParty
apps apps
CMake CMake
Python Python
+ pythonbindings pythonbindings
src src
CMakeLists.txt CMakeLists.txt
cpu.cmake cpu.cmake
@@ -19,7 +21,8 @@ From: ubuntu:20.04
apt-get update && \
apt-get install -y \
build-essential \
- cmake=3.16.3-1ubuntu1 \
+ ccache \
+ git \
python3 \
python3-dev \
python3-pip \
@@ -27,10 +30,31 @@ From: ubuntu:20.04
libomp-dev \
libgl1
- pip3 install setuptools wheel numpy scipy pyvista
+ pip3 install setuptools wheel cmake numpy scipy pyvista
export PYTHONPATH=Python
- python3 /setup.py install
+ python3 /setup.py bdist_wheel build_ext --build-temp=build
+ pip3 install $(find dist/*.whl)
+
+
+BootStrap: docker
+From: ubuntu:20.04
+Stage: runtime
+
+%files from build
+ Python Python
+ dist dist
+
+%post
+ export DEBIAN_FRONTEND=noninteractive
+ apt-get update && \
+ apt-get install -y \
+ python3 \
+ python3-pip \
+ mpich \
+ libgl1
+
+ pip3 install $(find dist/*.whl)
%environment
export PYTHONPATH=/Python
diff --git a/Python/SlurmTests/poiseuille/simulation_runner.py b/Python/SlurmTests/poiseuille/simulation_runner.py
index 03fb24be7..d54a35e72 100644
--- a/Python/SlurmTests/poiseuille/simulation_runner.py
+++ b/Python/SlurmTests/poiseuille/simulation_runner.py
@@ -5,7 +5,7 @@ from poiseuille.simulation import run_simulation
from pyfluids.cpu.writer import Writer, OutputFormat
-scale_level = int(os.environ["PYFLUIDS_SCALE_LEVEL"])
+scale_level = int(os.environ.get("PYFLUIDS_SCALE_LEVEL", 1))
grid_params, physical_params, runtime_params, kernel = Scaling.configuration_for_scale_level(scale_level)
writer = Writer()
diff --git a/Python/SlurmTests/poiseuille/slurm.job b/Python/SlurmTests/poiseuille/slurm.job
index 8115b13e1..b4e4da271 100644
--- a/Python/SlurmTests/poiseuille/slurm.job
+++ b/Python/SlurmTests/poiseuille/slurm.job
@@ -1,6 +1,6 @@
#!/bin/bash
#SBATCH -J PyFluidsTest
-#SBATCH -o POISEUILLE_TEST.out
+#SBATCH -o poiseuille_test/POISEUILLE_TEST.out
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=1
#SBATCH --cpus-per-task=20
@@ -10,6 +10,9 @@
#SBATCH --partition=standard
source $HOME/.bashrc
+module load singularity/3.9.9
+
+cd poiseuille_test
echo "PyFluids Poiseuille Test Case"
echo "Number of tasks: ${SLURM_NTASKS}"
diff --git a/pythonbindings/CMakeLists.txt b/pythonbindings/CMakeLists.txt
index 644b308c9..ea6ff833a 100644
--- a/pythonbindings/CMakeLists.txt
+++ b/pythonbindings/CMakeLists.txt
@@ -1,4 +1,11 @@
-project(VirtualFluidsPython LANGUAGES CUDA CXX)
+set(PYFLUIDS_LANGUAGES CXX)
+
+if(BUILD_VF_GPU)
+ set(PYFLUIDS_LANGUAGES CUDA CXX)
+endif()
+
+project(VirtualFluidsPython LANGUAGES ${PYFLUIDS_LANGUAGES})
+
pybind11_add_module(python_bindings MODULE src/VirtualFluids.cpp)
set_target_properties( python_bindings PROPERTIES
diff --git a/rocket.yml b/rocket.yml
new file mode 100644
index 000000000..da64a48cd
--- /dev/null
+++ b/rocket.yml
@@ -0,0 +1,23 @@
+host: $REMOTE_HOST
+user: $REMOTE_USER
+private_keyfile: $PRIVATE_KEY
+
+copy:
+ - from: Python/SlurmTests/poiseuille/slurm.job
+ to: poiseuille_test/slurm.job
+ overwrite: true
+
+ - from: Containers/PoiseuilleTestContainer.sif
+ to: poiseuille_test/PoiseuilleTestContainer.sif
+ overwrite: true
+
+collect:
+ - from: poiseuille_test/POISEUILLE_TEST.out
+ to: POISEUILLE_TEST.out
+ overwrite: true
+
+clean:
+ - poiseuille_test/*
+
+sbatch: poiseuille_test/slurm.job
+continue_if_job_fails: true
--
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