... | ... | @@ -93,6 +93,11 @@ 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
|
|
|
```
|
|
|
|
|
|
## Building Fleur on the GPUs (JURECA-DC Cluster)
|
|
|
```
|
|
|
module load NVHPC/21.1-GCC-9.3.0 HDF5 ParaStationMPI imkl CMake
|
|
|
FC=nvfortran ./configure.sh -gpu acc:cc80
|
|
|
```
|
|
|
## Profiling Fleur on the GPUs (JURECA-DC Cluster)
|
|
|
+ add start and stop markers
|
|
|
```bash
|
... | ... | |