Commit 6abed49d authored by Andrew Emerson's avatar Andrew Emerson
Browse files

New job files

parent a961cabe
# script for DAVIDE 16 cores/node
# - 13 nodes, 4 tasks/node, 4 OMP threads/task
# Below <account> represents the budget
#SBATCH --gres=gpu:4
#SBATCH -A <account>
#SBATCH --tasks-per-node=4
#SBATCH -p dvd_usr_prod
#SBATCH -t 1:00:00
srun -v -np 52 ./pw.x -input ./ -npool 26
# Batch file for using the Intel APS trace facility
# on Marconi KNL
#SBATCH --ntasks-per-node=64
#SBATCH --error=ta205-err.%j
#SBATCH --mem=80GB
#SBATCH --time=00:30:00
#SBATCH -A cin_staff
#SBATCH -p knl_usr_prod
start_time=$(date +"%s")
module purge
module load profile/knl
module load autoload qe/6.3_knl
source $INTEL_HOME/performance_snapshots/
srun --cpu-bind=cores aps pw.x -npool 2 -ndiag 32 -input
end_time=$(date +"%s")
echo "walltime $walltime"
......@@ -189,7 +189,7 @@ An example SLURM batch script for the A2 partition is given below:
``` shell
#SBATCH --tasks-per-node=34
#SBATCH --tasks-per-node=64
#SBATCH -A <accountno>
#SBATCH -t 1:00:00
......@@ -199,18 +199,17 @@ module load profile/knl
module load autoload qe/6.0_knl
mpirun pw.x -npool 4 -input > file.out
srun pw.x -npool 2 -ndiag 16 -input > file.out
In the above with the SLURM directives we have asked for 2 KNL nodes (each with 68 cores) in
cache/quadrant mode and 93 Gb main memory each. We are running QE in
hybrid mode using 34 MPI processes/node, each with 4 OpenMP
threads/process and distributing the k-points in 4 pools; the Intel
MKl library will also use 4 OpenMP threads/process.
cache/quadrant mode and 93 Gb main memory each. We are running QE in MPI-only
mode using 64 MPI processes/node with the k-points in 2 pools; the diagonalisation of the Hamiltonian
will be done by 16 (4x4) tasks.
Note that this script needs to be submitted using the KNL scheduler as follows:
......@@ -233,4 +232,4 @@ Please check the Cineca documentation for information on using the
| Large test case | CNT | Carbon nanotube | | Large scaling runs only. Memory and time requirements high|
Last updated: 14-January-2019
__Last updated: 14-January-2019__
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