Commit 2cf2983d authored by Matthias Redies's avatar Matthias Redies

Added Jureca & Booster description.

parent 31860a94
......@@ -55,9 +55,7 @@ If you modify FLEUR please do so in the develop branch by running
after cloning the git repository. For larger changes you might want to
create your own branch.
## Running Fleur on Jureca
### Compiling Fleur on Jureca
## Compiling Fleur on Jureca
To compile Fleur on Jureca the following modules need to be loaded:
```bash
......@@ -71,4 +69,38 @@ or
```bash
./configure.sh -external libxc JURECA_INTEL
```
if libXC should be supported aswell.
\ No newline at end of file
if libXC should be supported aswell.
## Compilling Fleur on Jureca Booster
To compile on the booster you need to first switch to the KNL environment
```bash
module purge
ml Architecture/KNL
module load intel-para CMake HDF5 libxml2/.2.9.7 ELPA/2017.11.001-hybrid
```
Then you can compile as discrebed above.
## Running Fleur on Jureca Booster
To run on the Boosters you need to switch the architecture in each job script aswell
```bash
#!/bin/bash -x
#SBATCH --nodes=1
##SBATCH --ntasks=10
##SBATCH --ntasks-per-node=10
#SBATCH --cpus-per-task=68
#SBATCH --output=mpi-%j.out
#SBATCH --error=mpi-%j.err
#SBATCH --time=1:00:00
#SBATCH --partition=develbooster
#SBATCH --gres=mem96
##SBATCH --mail-user=your.name@fz-juelich.de
##SBATCH --mail-type=END
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
module purge
ml Architecture/KNL
module load intel-para CMake HDF5 libxml2/.2.9.7 ELPA/2017.11.001-hybrid
/work/ias-1/s.rost/fleur_booster/fleur/build/fleur
```
\ No newline at end of file
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