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FIX: remove salloc obligation for openmpi+cuda (quantum-espresso
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germann_e
2025-05-16 15:07:48 +02:00
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pages/merlin7/05-Software-Support/quantum-espresso.md
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@ -67,8 +67,6 @@ module load nvhpc/25.3 openmpi/main-6bnq-A100-gpu quantum-espresso/7.4.1-nxsw-gp
## Developing your own GPU code
### Spack
1. Salloc on a GPU node (ALSO FOR CPU CODE!!)
```salloc --partition=a100-interactive --clusters=gmerlin7 --time=01:00:00 --ntasks=16 --nodes=1 --gpus=2 --mem=40000```
2. ```spack config edit ```
3. Add granularity: microarchitectures to your config (if you use nvhpc compiler! Not needed for CPU builds!)
```bash