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implemented COLA with P3M force evaluation and custom time stepping for P3M

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Tristan Hoellinger 2025-06-16 15:39:16 +02:00
parent 7cb65744f3
commit 34594a2bf6
29 changed files with 69704 additions and 106986 deletions
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16
submit/plots_convergence_baseline_ts.sh
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@ -1,24 +1,24 @@
#!/bin/bash
#SBATCH --job-name=cappel_L1024_Np512
#SBATCH -o /data70/hoellinger/WIP3M/cappel_L1024_Np512/plots.log
#SBATCH --exclusive
#SBATCH --job-name=ob_tsd1_L512_N1024_Np512
#SBATCH -o /data70/hoellinger/WIP3M/ob_tsd1_L512_N1024_Np512/plots.log
#SBATCH -N 1 # Number of nodes (value or min-max)
#SBATCH -n 128 # The number of tasks (i.e. cores) per node
#SBATCH --time=2:00:00
#SBATCH --partition=comp,pscomp # Partition name
#SBATCH --time=12:00:00
##SBATCH --exclusive
##SBATCH --mem=64G # Memory pool for all cores (see also --mem-per-cpu)
##SBATCH --array=0-10 # Size of the array
##SBATCH --constraint=i1 # Constraint e.g. specific node
##SBATCH --constraint=? # Constraint e.g. specific node type
conda activate p3m
export OMP_NUM_THREADS=64
python $WIP3M_ROOT_PATH"src/wip3m/plots_convergence_baseline_ts_parser.py" \
--run_id cappel_L1024_Np512 \
--run_id ob_tsd1_L512_N1024_Np512 \
--outdir_suffix plots \
--lpt True \
--cola False
--lpt False \
--cola True
exit 0