...
The most recent compiled version is fluorine neon, and it has been built using with the intel-oneapi compiler (v. 2021.2) and linked to Intel MKL (including FFTW). N.B.: exciting
fluorine is also available.
The exciting
module depends on impi/2021.7.1
.
...
Codeblock | ||
---|---|---|
| ||
#!/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 # If you want to use fluorine, replace with exciting/009-fluorine module load exciting/009010-fluorineneon # 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 mpirun exciting |
...