slurm

job_rt_pred.sh

+#!/bin/bash
+#SBATCH --job-name=RT_pred
+#SBATCH --account=bun@v100
+#SBATCH --partition=gpu_p13
+#SBATCH --ntasks=1                   # number of MP tasks
+#SBATCH --ntasks-per-node=1          # number of MPI tasks per node
+#SBATCH --gres=gpu:1                 # number of GPUs per node
+#SBATCH --cpus-per-task=10           # number of cores per tasks
+#SBATCH --hint=nomultithread         # we get physical cores not logical
+#SBATCH --distribution=block:block   # we pin the tasks on contiguous cores
+#SBATCH --time=20:00:00              # maximum execution time (HH:MM:SS)
+#SBATCH --output=expe/output_RT_pred_%j.out
+#SBATCH --error=expe/error_RT_pred_%j.out
+
+# Clean modules
+module purge
+
+# Load used modules
+module load  pytorch-gpu/py3
+
+# Echo commands
+set -x
+
+# Execute python code
+python3 -u /gpfswork/rech/ute/ucg81ws/these/LC-MS-RT-prediction/main.py