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Primjer korištenja v.6.5Max:
| Code Block |
|---|
#$ -cwd
#$ -pe gpu 1
module load quantum-espresso-gpu/v.6.5Max
export OMP_NUM_THREADS=1
cuda-wrapper.sh pw.x ... |
Primjer korištenja v.6.7:
| Code Block |
|---|
#$ -cwd
#$ -pe gpusingle 4
module load quantum-espresso-gpu/6.7
export OMP_NUM_THREADS=1
openmpi-wrapper.sh pw.x < poslani_podaci.txt |
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