home.md

@@ -5,4 +5,59 @@ Please note that this is not the point to put user documentation, which should g
 * [Regression tests](Tests/Testing)
 * [Fleurinput data-types](Fleurinput)
 * [FLEUR Style Guide](FLEUR-Style-Guide)
-* [Performance tests](Performance-tests)
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+* [Performance tests](Performance-tests)
+
+## Compiling Fleur on Jureca
+To compile Fleur on Jureca the following modules need to be loaded:
+
+```bash
+module load intel-para CMake HDF5 libxml2/.2.9.7 ELPA/2017.11.001-hybrid
+```
+which is then configured with
+```bash
+./configure.sh JURECA_INTEL
+```
+or
+```bash
+./configure.sh -external libxc JURECA_INTEL 
+```
+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
+```
+
+## Developing Fleur
+
+We agreed to use a unified indentation-width of 3. 
+Hint: [vim](http://vim.wikia.com/wiki/Converting_tabs_to_spaces) [emacs](https://www.gnu.org/software/emacs/manual/html_node/efaq/Changing-the-length-of-a-Tab.html)
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