Versions Compared

Old Version 1

changes.mady.by.user Tomislav Stilinović

Saved on

compared with

New Version 2

changes.mady.by.user Tomislav Stilinović

Saved on

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

http://www.xcrysden.org/

Dostupne verzije su:

Verzija

Modul

1.5XCrySDen/1.5

Primjer korištenja

module load XCrySDen/1.5

xcrysden

Ukoliko želite aplikaciju izvoditi paralelno, nakon gore spomenute naredbe, u skriptu za opis posla OBAVEZNO je navesti i parametre:

module load xtb/*verzija*
export OMP_STACKSIZE=1G
export OMP_NUM_THREADS=$NSLOTS,1
export OMP_MAX_ACTIVE_LEVELS=1