fix: missing bracket around multiple variables

Implement hip python

.gitignore

@@ -0,0 +1,276 @@
+.vscode/settings.json
+
+/data
+
+# Numpy Zipped
+*.npz
+
+# NetCDF
+*.nc
+
+# Python Related files
+# Taken from: https://github.com/github/gitignore/blob/main/Python.gitignore
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+#Pipfile.lock
+
+# UV
+#   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#uv.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+#poetry.lock
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#pdm.lock
+#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
+#   in version control.
+#   https://pdm.fming.dev/latest/usage/project/#working-with-version-control
+.pdm.toml
+.pdm-python
+.pdm-build/
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+#.idea/
+
+# Ruff stuff:
+.ruff_cache/
+
+# PyPI configuration file
+.pypirc
+
+# CUDA
+cuda_cache/
+
+# Taken from: https://github.com/github/gitignore/blob/main/CUDA.gitignore
+*.i
+*.ii
+*.gpu
+*.ptx
+*.cubin
+*.fatbin
+
+# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio, WebStorm and Rider
+# Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839
+# Taken from: https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+
+# User-specific stuff
+.idea/**/workspace.xml
+.idea/**/tasks.xml
+.idea/**/usage.statistics.xml
+.idea/**/dictionaries
+.idea/**/shelf
+
+# AWS User-specific
+.idea/**/aws.xml
+
+# Generated files
+.idea/**/contentModel.xml
+
+# Sensitive or high-churn files
+.idea/**/dataSources/
+.idea/**/dataSources.ids
+.idea/**/dataSources.local.xml
+.idea/**/sqlDataSources.xml
+.idea/**/dynamic.xml
+.idea/**/uiDesigner.xml
+.idea/**/dbnavigator.xml
+
+# Gradle
+.idea/**/gradle.xml
+.idea/**/libraries
+
+# Gradle and Maven with auto-import
+# When using Gradle or Maven with auto-import, you should exclude module files,
+# since they will be recreated, and may cause churn.  Uncomment if using
+# auto-import.
+# .idea/artifacts
+# .idea/compiler.xml
+# .idea/jarRepositories.xml
+# .idea/modules.xml
+# .idea/*.iml
+# .idea/modules
+# *.iml
+# *.ipr
+
+# CMake
+cmake-build-*/
+
+# Mongo Explorer plugin
+.idea/**/mongoSettings.xml
+
+# File-based project format
+*.iws
+
+# IntelliJ
+out/
+
+# mpeltonen/sbt-idea plugin
+.idea_modules/
+
+# JIRA plugin
+atlassian-ide-plugin.xml
+
+# Cursive Clojure plugin
+.idea/replstate.xml
+
+# SonarLint plugin
+.idea/sonarlint/
+
+# Crashlytics plugin (for Android Studio and IntelliJ)
+com_crashlytics_export_strings.xml
+crashlytics.properties
+crashlytics-build.properties
+fabric.properties
+
+# Editor-based Rest Client
+.idea/httpRequests
+
+# Android studio 3.1+ serialized cache file
+.idea/caches/build_file_checksums.ser

Jobs/job_lumi.slrum

@@ -19,18 +19,18 @@ Mydir=/project/project_4650000xx
 Myapplication=${Mydir}/FiniteVolumeGPU_hip/mpiTesting.py
 
 #modules
-ml LUMI/23.03 partition/G
+ml LUMI/24.03 partition/G
 ml lumi-container-wrapper
-ml cray-python/3.9.13.1
+ml cray-python/3.11.7
-ml rocm/5.2.3
+ml rocm/5.4.6
 
 ml craype-accel-amd-gfx90a
-ml cray-mpich/8.1.27
+ml cray-mpich/8.1.29
 
 export PATH="/project/project_4650000xx/FiniteVolumeGPU_hip/MyCondaEnv/bin:$PATH"
 
 #missing library
-export LD_LIBRARY_PATH=/opt/cray/pe/mpich/8.1.27/ofi/cray/14.0/lib-abi-mpich:$LD_LIBRARY_PATH
+export LD_LIBRARY_PATH=/opt/cray/pe/mpich/8.1.29/ofi/cray/17.0/lib-abi-mpich:$LD_LIBRARY_PATH
 
 #Binding mask
 bind_mask="0x${fe}000000000000,0x${fe}00000000000000,0x${fe}0000,0x${fe}000000,0x${fe},0x${fe}00,0x${fe}00000000,0x${fe}0000000000"

README.md

@@ -1,25 +1,31 @@
 # FiniteVolumeGPU
 
-This is a HIP version of the [FiniteVolume code](https://github.com/babrodtk/FiniteVolumeGPU) (work in progress). It is a Python software package that implements several finite volume discretizations on Cartesian grids for the shallow water equations and the Euler equations. 
+This is a HIP version of the [FiniteVolume code](https://github.com/babrodtk/FiniteVolumeGPU). It is a Python software package that implements several finite volume discretizations on Cartesian grids for the shallow water equations and the Euler equations. 
 
 ## Setup on LUMI-G
 Here is a step-by-step guide on installing packages on LUMI-G
 
-### Step 0: load modules
+### Step 1: Install rocm-5.4.6 with Easybuild
 ```
-ml LUMI/23.03 partition/G
+export EBU_USER_PREFIX=/project/project_xxxxxx/EasyBuild
-ml lumi-container-wrapper
+ml LUMI/24.03 partition/G
-ml cray-python/3.9.13.1
+ml EasyBuild-user
+export PYTHONIOENCODING=utf-8
+eb rocm-5.4.6.eb -r
 ```
 
-### Step 1: run conda-container
+### Step 2: run conda-container
 Installation via conda can be done as:
 ```
+ml LUMI/24.03 partition/G
+ml lumi-container-wrapper/0.3.3-cray-python-3.11.7
+```
+```
 conda-containerize new --prefix MyCondaEnv conda_environment_lumi.yml
 ```
 where the file `conda_environment_lumi.yml` contains packages to be installed.
 
-### Step 2: Set the env. variable to search for binaries
+### Step 3: Set the env. variable to search for binaries
 ```
 export the bin path: export PATH="$PWD/MyCondaEnv/bin:$PATH"
 ```

conda_environment_lumi.yml

@@ -5,7 +5,8 @@ channels:
 - conda-forge
 
 dependencies:
-- python=3.9.13
+- python=3.11.7
+- pip
 - numpy
 - mpi4py
 - six

mpiTesting.py

@@ -178,7 +178,7 @@ def genSim(grid, **kwargs):
     return sim
 
 
-outfile, sim_runner_profiling_data, sim_profiling_data = Common.runSimulation(
+(outfile, sim_runner_profiling_data, sim_profiling_data) = Common.runSimulation(
     genSim, arguments, outfile, save_times, save_var_names, dt)
 
 if(args.profile):