Quantum Espresso je preveden s Intel 2019 i MVAPICH2 2.2 i parametrima:
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Dostupne verzije su:
| Verzija | Modul |
|---|---|
| 5.4.0 | quantum-espresso/5.4.0 |
| 6.3 | quantum-espresso/6.3 |
| 6.6 | quantum-espresso/6.6 |
| 6.7 | quantum-espresso/6.7 |
Primjer korištenja:
| Code Block |
|---|
module load quantum-espresso/6.3 mpirun_rsh -np $NSLOTS -hostfile $TMPDIR/machines MV2_ENABLE_AFFINITY=0 $QE_DIR/bin/pw.x ... |
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