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Chapter10/env02506.sh

+#!/bin/bash
+# Simple init script for Python on DTU HPC
+# Patrick M. Jensen, patmjen@dtu.dk, 2022
+
+# Configuration
+# This is what you should change for your setup
+VENV_NAME=env02506    # Name of your virtualenv (default: venv)
+VENV_DIR=.             # Where to store your virtualenv (default: current directory)
+PYTHON_VERSION=3.9.14  # Python version (default: 3.9.14)
+CUDA_VERSION=11.6      # CUDA version (default: 11.6)
+
+# Load modules
+module load python3/$PYTHON_VERSION
+module load $(module avail -o modulepath -t -C "python-${PYTHON_VERSION}" | grep "numpy/")
+module load $(module avail -o modulepath -t -C "python-${PYTHON_VERSION}" | grep "scipy/")
+module load $(module avail -o modulepath -t -C "python-${PYTHON_VERSION}" | grep "matplotlib/")
+module load $(module avail -o modulepath -t -C "python-${PYTHON_VERSION}" | grep "pandas/")
+module load cuda/$CUDA_VERSION
+CUDNN_MOD=$(module avail -o modulepath -t cudnn | grep "cuda-${CUDA_VERSION}" | sort | tail -n1)
+if [[ ${CUDNN_MOD} ]]
+then
+    module load ${CUDNN_MOD}
+fi
+
+# Create virtualenv if needed and activate it
+if [ ! -d "${VENV_DIR}/${VENV_NAME}" ]
+then
+    echo INFO: Did not find virtualenv. Creating...
+    virtualenv "${VENV_DIR}/${VENV_NAME}"
+fi
+source "${VENV_DIR}/${VENV_NAME}/bin/activate"
+
+# Select least used GPU if any are available
+if command -v nvidia-smi &> /dev/null
+then
+    export CUDA_VISIBLE_DEVICES=$(nvidia-smi --query-gpu=memory.used,utilization.gpu,utilization.gpu,index --format=csv,noheader,nounits | sort -V | awk '{print $NF}' | head -n1)
+    echo CUDA_VISIBLE_DEVICES=${CUDA_VISIBLE_DEVICES}
+fi
+