Sample Slurm Heading with Notes
#!/bin/bash
#SBATCH --account=[project_id]
#SBATCH --partition=[partition_name]
#SBATCH --nodes=[number_of_nodes]
#SBATCH --ntasks-per-node=[tasks_per_node] # Optional, this will ensure the number of tasks is held constant amongst nodes
#SBATCH --ntasks=[ntasks-per-node * nodes]
#SBATCH --cpus-per-task=1 # Usually 1 is fine. By setting to 1, ntasks-per-node == number of CPUs of node and ntasks == number of CPUs if nodes = 1
#SBATCH --exclusive # Optional, will exclusively hold a node such that only your jobs are running on the node
#SBATCH --nodelist=[node_id] # Optional, allows user to specify which nodes to use
#SBATCH --mem=0 # 0 gives maximum amount of memory allowed by node
#SBATCH --time=1:00:00
#SBATCH --mail-user=[email_address]
#SBATCH --mail-type=ALL # Will send all updates to email (mostly just jobs beginning and ending with extra information)
Pegasus WMS for USC
Slurm commands
Running jobs on HPC
VASP number of cores guide
VASP convergence tests
VASP tutorial: atoms, molecules, bulk: Has good info on running a lattice equilibrium test (slide ~40)
VASP surface tutorials
VASP tool for analyzing simulations
Three blue one brown Python animations
Attach conda environment to jupyterlab: python -m ipykernel install --user --name=your_env_name --display-name "Python (your_env_name)"
Matplotlib color charts