Dalton je preveden s Intel 2019 i MVAPICH2 2.2 i parametrima:
./setup --fc=mpif90 --cc=mpicc --cxx=mpicxx --cmake=cmake3 --mpi --scalapack
Dostupne verzije su:
| Verzija | Modul |
|---|---|
| 2018 | dalton/dalton_2018 |
Primjer korištenja:
module load dalton/dalton_2018 export DALTON_TMPDIR=$TMPDIR export DALTON_LAUNCHER="mpirun -np $NSLOTS -hostfile $DALTON_TMPDIR/machines" dalton -d -mb 16000 -ow -noarch TEST TEST