Commit 06277305 authored by Andrew Emerson's avatar Andrew Emerson
Browse files

Skylake job file added.

parent 4a9df852
#!/bin/bash
#SBATCH -J prace-qe
#SBATCH --mem=120GB
#SBATCH --time=00:30:00
#SBATCH --nodes=5
#SBATCH --ntasks=240
#SBATCH --ntasks-per-node=48
#SBATCH --cpus-per-task=1
#SBATCH --account=cin_staff
#SBATCH --partition=skl_usr_prod
#ENDSLURM
start_time=$(date +"%s")
module load profile/chem; module load autoload qe/6.3
export OMP_NUM_THREADS=1
mpirun -n 240 pw.x -input ausurf.in -npool 2 -ndiag 16
touch ready
end_time=$(date +"%s")
walltime=$(($end_time-$start_time))
echo "walltime $walltime"
......@@ -228,8 +228,8 @@ Please check the Cineca documentation for information on using the
| UEABS name | QE name | Description | k-points | Notes|
|------------|---------------|-------------|----------|------|
| Small test case | AUSURF | 112 atoms | 2 | < 4-8 nodes on most systems |
| Medium test case | TA2O5 | Tantalum oxide| 26| Medium scaling, often 20 nodes |
| Large test case | CNT | Carbon nanotube | | Large scaling runs only. Memory and time requirements high|
| Large test case | TA2O5 | Tantalum oxide| 26| Medium scaling, often 20 nodes |
| Very Large test case | CNT | Carbon nanotube | | Large scaling runs only. Memory and time very requirements high|
__Last updated: 14-January-2019__
__Last updated: 29-April-2019__
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