Useful links

• Smilei doc: https://smileipic.github.io/Smilei
• Tutorials: https://smileipic.github.io/tutorials

Your first login at ETSIAE

• Login to the computer
• Open the file manager > Navigate to the network drive temporal > folder MobaXterm
• Copy the executable inside to your desktop
• Double-click this executable
• Select create new session
• Indicate your user name for RUCHE and the hostname ruche.mesocentre.universite-paris-saclay.fr
• On the terminal tab, enter your RUCHE password > do not save it

General terminal commands

• Directories
  • Print the name of current directory: pwd
  • List files in current directory: ls
  • Change directory: cd path/to/other/folder
  • Go to your home directory: cd ~
  • Make a new folder: mkdir new_folder
  • Remove a folder: rm -r my_folder
  • Copy a folder: cp -r my_folder new_folder
• Files
  • Remove a file: rm my_file
  • Copy a file: cp my_file new_file
  • Move a file: mv my_file other_folder/new_name
• Text editors
  • emacs some_file &
  • vim some_file
  • nano some_file
• Get a file from the web: wget some_URL

Running Smilei on the RUCHE cluster

• Commands to manage jobs:
  • Submit a job: sbatch submission_script.sh
  • Check job status: squeue
  • Cancel a job: scancel job_id
  If your job stays in status "CF" for more than 1 minute, don't hesitate to cancel and resubmit.
• Get Smilei

  git clone https://github.com/SmileiPIC/Smilei.git --depth 1

• Prepare the post-processing tool happi

  cd ~/Smilei
  source /gpfs/workdir/perezf/smilei_env.sh
  make happi

• Compile Smilei:
  • Copy the following in a new file compile.sh in the Smilei folder.
  • Start the compilation with the command sbatch compile.sh
  • Check the advancement using tail -f smilei_c.out

  #!/bin/bash
  #SBATCH --job-name=smilei_c
  #SBATCH --output=smilei_c.out
  #SBATCH --error=smilei_c.err
  #SBATCH --time=00:05:00
  #SBATCH --ntasks=1           # total number of MPI processes
  #SBATCH --ntasks-per-node=1  # number of MPI processes per node
  #SBATCH --cpus-per-task=40   # number of threads per MPI process
  ##SBATCH --partition=cpu_short
  ##SBATCH --reservation=prouveurc_165
  
  
  source /gpfs/workdir/perezf/smilei_env.sh
  
  set -x
  cd ${SLURM_SUBMIT_DIR}
  
  make -j 40 machine=ruche_cascadelake_intel
  

• Run smilei_test:

  ~/Smilei/smilei_test input.py

  Do not forget to replace input.py by your input file!
• Run Smilei without parallelization:

  export OMP_NUM_THREADS=4
  ~/Smilei/smilei input.py

• Launch a parallel simulation:
  • Copy the following in a new file run.sh in the folder of your input file.
  • Modify values according to the needs of the simulation:
    • Replace my_input_file.py by the name of your input file
    • ntasks = the number of MPI processes
    • cpus-per-task = the number of threads per MPI process
    • OMP_SCHEDULE can be set to static or dynamic
  • Start the simulation, in the folder of your input file, with sbatch run.sh
  • The result will appear in the folder $WORKDIR/simulation_results

  #!/bin/bash
  #SBATCH --job-name=run_smilei
  #SBATCH --output=smilei.out
  #SBATCH --time=00:10:00
  #SBATCH --ntasks=1           # total number of MPI processes
  #SBATCH --ntasks-per-node=1  # number of MPI processes per node
  #SBATCH --cpus-per-task=40   # number of threads per MPI process
  ##SBATCH --reservation=prouveurc_165
  
  
  INPUT_FILE=my_input_file.py
  
  source /gpfs/workdir/perezf/smilei_env.sh
  set -x
  cd ${SLURM_SUBMIT_DIR}
  
  # Dynamic scheduling for patch-spec loop
  export OMP_SCHEDULE=dynamic
  # number of OpenMP threads per MPI process
  export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
  # Binding OpenMP Threads of each MPI process on cores
  export OMP_PLACES=cores
  
  # execution
  F=$WORKDIR/simulation_results
  rm -fr $F
  mkdir $F
  cp $INPUT_FILE $F/input.py
  cd $F
  srun ~/Smilei/smilei input.py
  

• Start Python & happi for post-processing If you haven't done so already, load the environment:

  source /gpfs/workdir/perezf/smilei_env.sh

  Then you may launch: ipython in which you import happi

Using Paraview on RUCHE

• Connect to the visualization system in your web browser

  https://ruche.mesocentre.universite-paris-saclay.fr:8443

  Enter your RUCHE credentials
• On the left menu, click on the first "Linux" item Wait for the session to start, then click on the screen that has appeared.
• Open a terminal Right-click on the desktop > Open terminal
• Load & launch Paraview

  module load paraview/5.8.0/gcc-9.2.0
  paraview &

Running a GPU simulation on RUCHE

• The Following assumes you handle the directories yourself.
• Create a new directory in the $WORKDIR and put your input file there.
• Copy the following in a new file run.sh in the same folder, replacing input.py by the name of your input file
• Start the simulation in the same folder, with sbatch run.sh
• The result will appear in the same folder.

#!/bin/bash
#SBATCH --job-name=smileigpu
#SBATCH --output=%x.o%j
#SBATCH --time=00:20:00
#SBATCH --ntasks=1                   # Number of MPI processes (= total number of GPU)
#SBATCH --ntasks-per-node=1          # nombre de tache MPI par noeud (= nombre de GPU par noeud)
#SBATCH --gres=gpu:1
#SBATCH --partition=gpua100
##SBATCH --reservation=prouveurc_166
#SBATCH --exclude=ruche-gpu16

export INPUT=input.py

# Env for Smilei GPU
module purge

module load gcc/11.2.0/gcc-4.8.5
module load nvhpc/23.7/gcc-11.2.0
module load cuda/11.8.0/nvhpc-23.7
module load openmpi/4.1.5/nvhpc-23.7-cuda
#module load hdf5/1.12.0/nvhpc-23.7-openmpi

module load python/3.9.10/gcc-11.2.0 # works

export HDF5_ROOT_DIR=/gpfs/users/prouveurc/tools/hdfsrc/install #/gpfs/softs/spack_0.17/opt/spack/linux-centos7-haswell/nvhpc-23.7/hdf5-1.12.0-3em63nl4p5tmv37offfmuvz2uswvgwzv/
export LD_LIBRARY_PATH=/gpfs/users/prouveurc/tools/hdfsrc/install/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/gpfs/softs/spack_0.17/opt/spack/linux-centos7-cascadelake/gcc-11.2.0/gettext-0.21-bppg5g6ijfrvi7sdylhhg3t5f6v2fh2x/lib/:$LD_LIBRARY_PATH
export NVHPC_CUDA_HOME=/gpfs/softs/spack_0.17/opt/spack/linux-centos7-cascadelake/nvhpc-23.7/cuda-11.8.0-j62qyr3fdv4uuxx3kln3ckwo4xoqrntx/
module load anaconda3/2022.10/gcc-11.2.0

# Run cuda code
LD_PRELOAD=/gpfs/softs/spack/opt/spack/linux-centos7-haswell/gcc-4.8.5/gcc-11.2.0-mpv3i3uebzvnvz7wxn6ywysd5hftycj3/lib64/libstdc++.so.6.0.29 /gpfs/workdir/prouveurc/workshop/smilei $INPUT

Compiling a GPU executable (if you want to)

• The Following assumes you are in the smilei directory

# Env for Smilei GPU
module purge

module load gcc/11.2.0/gcc-4.8.5
module load nvhpc/23.7/gcc-11.2.0
module load cuda/11.8.0/nvhpc-23.7
module load openmpi/4.1.5/nvhpc-23.7-cuda
#module load hdf5/1.12.0/nvhpc-23.7-openmpi

module load python/3.9.10/gcc-11.2.0 # works

export HDF5_ROOT_DIR=/gpfs/users/prouveurc/tools/hdfsrc/install #/gpfs/softs/spack_0.17/opt/spack/linux-centos7-haswell/nvhpc-23.7/hdf5-1.12.0-3em63nl4p5tmv37offfmuvz2uswvgwzv/
export LD_LIBRARY_PATH=/gpfs/users/prouveurc/tools/hdfsrc/install/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/gpfs/softs/spack_0.17/opt/spack/linux-centos7-cascadelake/gcc-11.2.0/gettext-0.21-bppg5g6ijfrvi7sdylhhg3t5f6v2fh2x/lib/:$LD_LIBRARY_PATH
export NVHPC_CUDA_HOME=/gpfs/softs/spack_0.17/opt/spack/linux-centos7-cascadelake/nvhpc-23.7/cuda-11.8.0-j62qyr3fdv4uuxx3kln3ckwo4xoqrntx/

make -j 4 machine="ruche_gpu2" config="gpu_nvidia"