Dalton je preveden s Intel 2019 i MVAPICH2 2.2 i parametrima:
Code Block |
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./setup --fc=mpif90 --cc=mpicc --cxx=mpicxx --cmake=cmake3 --mpi --scalapack |
Dostupne verzije su:
Verzija | Modul |
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2018 | dalton/dalton_2018 |
Primjer korištenja:
Code Block |
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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 |