docs: remove redundant separate link to file

.gitignore

@@ -186,7 +186,6 @@ cython_debug/
 .pypirc
 
 # CUDA
-cuda_cache/
 
 # Taken from: https://github.com/github/gitignore/blob/main/CUDA.gitignore
 *.i

Jobs/job_lumi.slrum

@@ -1,39 +0,0 @@
-#!/bin/bash -e
-#SBATCH --job-name=lumi
-#SBATCH --account=project_4650000xx
-#SBATCH --time=00:10:00
-#SBATCH --partition=dev-g
-#SBATCH --nodes=1
-#SBATCH --ntasks-per-node=8
-#SBATCH --gpus=8
-#SBATCH --gpus-per-node=8
-#SBATCH -o %x-%j.out
-#SBATCH --exclusive
-#
-
-N=$SLURM_JOB_NUM_NODES
-echo "--nbr of nodes:", $N
-echo "--total nbr of gpus:", $SLURM_NTASKS
-
-Mydir=/project/project_4650000xx
-Myapplication=${Mydir}/FiniteVolumeGPU_hip/mpiTesting.py
-
-#modules
-ml LUMI/24.03 partition/G
-ml lumi-container-wrapper
-ml cray-python/3.11.7
-ml rocm/6.2.2
-
-ml craype-accel-amd-gfx90a
-ml cray-mpich/8.1.29
-
-export PATH="/project/project_4650000xx/FiniteVolumeGPU_hip/MyCondaEnv/bin:$PATH"
-
-#missing library
-export LD_LIBRARY_PATH=/opt/cray/pe/mpich/8.1.29/ofi/cray/17.0/lib-abi-mpich:$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"
-
-srun --cpu-bind=mask_cpu:$bind_mask \
-     python ${Myapplication} -nx 1024 -ny 1024 --profile 	

Jobs/job_lumi.slurm

@@ -0,0 +1,27 @@
+#!/bin/bash -l
+#SBATCH --job-name=lumi
+#SBATCH --account=project_4650000xx
+#SBATCH --time=00:10:00
+#SBATCH --partition=dev-g
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=8
+#SBATCH --gpus-per-node=8
+#SBATCH --output=%x-%j.out
+#SBATCH --exclusive
+
+N=$SLURM_JOB_NUM_NODES
+echo "--nbr of nodes:", $N
+echo "--total nbr of gpus:", $SLURM_NTASKS
+
+Mydir=/project/${project}
+Myapplication=${Mydir}/FiniteVolumeGPU_HIP/mpiTesting.py
+CondaEnv=${Mydir}/FiniteVolumeGPU_HIP/MyCondaEnv/bin
+
+export PATH="${CondaEnv}:$PATH"
+
+CPU_BIND="map_cpu:49,57,17,25,1,9,33,41"
+
+export MPICH_GPU_SUPPORT_ENABLED=1
+
+srun --cpu-bind=${CPU_BIND} --mpi=pmi2 \
+     python ${Myapplication} -nx 1024 -ny 1024 --profile

README.md

@@ -5,48 +5,38 @@ This is a HIP version of the [FiniteVolume code](https://github.com/babrodtk/Fin
 ## Setup on LUMI-G
 Here is a step-by-step guide on installing packages on LUMI-G
 
-### Step 1: Install rocm-5.4.6 with Easybuild
-```
-export EBU_USER_PREFIX=/project/project_xxxxxx/EasyBuild
-ml LUMI/24.03 partition/G
-ml EasyBuild-user
-export PYTHONIOENCODING=utf-8
-eb rocm-5.4.6.eb -r
-```
-
-### Step 2: run conda-container
+### Step 1: run conda-container
 Installation via conda can be done as:
-```
+```shell
 ml LUMI/24.03 partition/G
-ml lumi-container-wrapper/0.3.3-cray-python-3.11.7
-```
+ml lumi-container-wrapper
 ```
+```shell
 conda-containerize new --prefix MyCondaEnv conda_environment_lumi.yml
 ```
 where the file `conda_environment_lumi.yml` contains packages to be installed.
 
-### Step 3: Set the env. variable to search for binaries
-```
-export the bin path: export PATH="$PWD/MyCondaEnv/bin:$PATH"
-```
-### An alternative: Convert to a singularity container with cotainr
+### Step 1 alternative: Convert to a singularity container with cotainr
 ```
 cotainr build my_container.sif --system=lumi-g --conda-env=conda_environment_lumi.yml
 ```
 
-### Error when running MPI.
+### Step 2: Modify Slurm Job file
+Update the contents of [`Jobs/job_lumi.slurm`](Jobs/job_lumi.slurm) to match your project allocation,
+and the directories of where the simulator and Conda container is stored.
+
+### Step 3: Run the Slurm Job
+```shell
+sbatch Jobs/job_lumi.slurm
+```
+
+### Troubleshooting
+
+#### Error when running MPI.
 ```
 `MPI startup(): PMI server not found. Please set I_MPI_PMI_LIBRARY variable if it is not a singleton case.
 ```
 This can be resolved by exporting this:
 ```
-export I_MPI_PMI_LIBRARY=/opt/cray/pe/mpich/8.1.27/ofi/cray/14.0/lib/libmpi.so
+export I_MPI_PMI_LIBRARY=/opt/cray/pe/mpich/8.1.29/ofi/cray/17.0/lib/libmpi.so
 ```
-### Install hip-python
-```
-python -m pip install -i https://test.pypi.org/simple/ hip-python==5.4.3.470.16
-```
-
-The testing was done with this specific version `hip-python==5.4.3.470.16`
-
-