...
| Code Block |
|---|
./setup --fc=mpif90 --cc=mpicc --cxx=mpicxx --cmake=cmake3 --mpi |
Dostupne verzije su:
| Verzija | Modul |
|---|---|
| 2018 | dalton/dalton_2018 |
| 2020 | dalton/dalton_2020 |
| 2020 | dalton/dalton_2020_custom |
Primjer korištenja:
| Code Block |
|---|
module load dalton/dalton_2018 export DALTON_TMPDIR=$TMPDIR export DALTON_LAUNCHER="mpirun -np $NSLOTS -hostfile $TMPDIR/machines" dalton -d -mb 16000 -ow -noarch TEST TEST |
...
Custom verzija je prevedena s drugačijim parametrima u include datotekama
| Notecode |
|---|
/DALTON/include/rspprp.hMAXLBL = 30000 /DALTON/include/infvar.h MAXWOP = 1500000 /DALTON/include/maxorb.h MXSHEL = 8000 MXCORB = 7000 /DALTON/include/aovec.h MXAOVC = 72 |