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UEABS
ueabs
Commits
f26b45e4
Commit
f26b45e4
authored
Apr 16, 2019
by
Martti Louhivuori
Browse files
Add example job scripts
parent
5a03180f
Changes
5
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gpaw/README.md
View file @
f26b45e4
...
...
@@ -96,7 +96,7 @@ Input file: [benchmark/carbon-nanotube/input.py](benchmark/silicon-cluster/input
No special command line options or environment variables are needed to run the
benchmarks on most systems. One can simply say e.g.
```
mpirun -np 256
gpaw-python input.py
srun
gpaw-python input.py
```
#### Special case: KNC
...
...
@@ -119,5 +119,4 @@ GPAW_PPN=12 GPAW_OFFLOAD=1 mpirun -np 256 -bootstrap slurm \
#### Examples
Example
[
job scripts
](
scripts/
)
(
`scripts/job-*.sh`
)
are provided for
different systems together with related machine specifications
(
`scripts/specs.*`
) that may offer a helpful starting point.
different PRACE systems that may offer a helpful starting point.
gpaw/scripts/job-davide.sh
0 → 100644
View file @
f26b45e4
#!/bin/bash
#SBATCH -J 4x4
#SBATCH -p dvd_usr_prod
#SBATCH --nodes=4
#SBATCH --ntasks-per-node=4
#SBATCH --cpus-per-task=4
#SBATCH --time=00:30:00
#SBATCH --account=<PROJECT_ID>
#SBATCH --gres=gpu:tesla:4
#SBATCH --exclusive
cd
$SLURM_SUBMIT_DIR
source
$CINECA_SCRATCH
/lib/gpaw-cuda/load.sh
srun gpaw-python input.py
gpaw/scripts/job-juwels.sh
0 → 100644
View file @
f26b45e4
#!/bin/bash -x
#SBATCH -J 4x48
#SBATCH --account=<PROJECT_ID>
#SBATCH --nodes=4
#SBATCH --ntasks-per-node=48
#SBATCH --time=00:30:00
#SBATCH --partition=batch
source
$HOME
/lib/gpaw-1.1.0/load.sh
srun gpaw-python input.py
gpaw/scripts/job-marenostrum.sh
0 → 100644
View file @
f26b45e4
#!/bin/bash -x
#SBATCH -J 4x48
#SBATCH --nodes=4
#SBATCH --ntasks-per-node=48
#SBATCH --time=00:30:00
#SBATCH --qos=prace
source
$HOME
/project/lib/gpaw-1.1.0/load.sh
srun gpaw-python input.py
gpaw/scripts/job-piz-daint.sh
0 → 100644
View file @
f26b45e4
#!/bin/bash -l
#SBATCH -J 4x1
#SBATCH --nodes=4
#SBATCH --ntasks-per-node=1
#SBATCH --cpus-per-task=12
#SBATCH --time=00:30:00
#SBATCH --partition=normal
#SBATCH --constraint=gpu
#SBATCH --gres=gpu:1
export
OMP_NUM_THREADS
=
1
export
CRAY_CUDA_MPS
=
1
export
MPICH_NO_GPU_DIRECT
=
1
source
$SCRATCH
/lib/gpaw-cuda/load.sh
srun gpaw-python input.py
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