...
The exciting
module depends on impi/2021.7.1
.
exciting | Module file | Requirement | Features | CPU/GPU | Lise/Emmy |
---|---|---|---|---|---|
fluorine | exciting/009-fluorine | impi/2021.7.1 | MPI, OpenMP, MKL (including FFTW) | / | / |
neon-20 | exciting/010-neon | impi/2021.7.1 | MPI, OpenMP, MKL (including FFTW) | / | / |
neon-21 | exciting/010-neon-21 | impi/2021.7.1 | MPI, OpenMP, MKL (including FFTW) | / | / |
Example Jobscripts
Codeblock | ||
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| ||
#!/bin/bash #SBATCH --time 12:00:00 #SBATCH --nodes=1 #SBATCH --ntasks-per-node=24 #SBATCH --cpus-per-task=4 #SBATCH --job-name=exciting module load impi/2021.7.1 # Load exciting neon # Check Ifthe youtable wantabove to use fluorine, replace with exciting/009-fluorinefind which module to load, depending on the version to be used module load exciting/010-neon-21 # Set the number of OpenMP threads as given by the SLURM parameter "cpus-per-task" export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} # Adjust the maximum stack size of OpenMP threads export OMP_STACKSIZE=512m # Do not use the CPU binding provided by slurm export SLURM_CPU_BIND=none # Binding OpenMP threads export OMP_PLACES=cores export OMP_PROC_BIND=close # Binding MPI tasks export I_MPI_PIN=yes export I_MPI_PIN_DOMAIN=omp export I_MPI_PIN_CELL=core # Important: Do not use srun when SLURM_CPU_BIND=none in combination with the pinning settings defined above mpirun exciting |