Application Software

NSC provides a comprehensive selection of application software. The respective programs are organized with respect to application areas (left panel) and you will there find details on running these applications at the NSC resources. Users are invited to comment on the selection of software and suggest additions. Requests should be directed to NSC [help desk].

Notes

• Information on software is available at the Application Knowledge Base [here].
• If you are writing your own applications, see the information on math libraries [here].
• If you are writing Fortran, see the books by Bo Einarsson:
  Fortran 90 for the Fortran 77 Programmer [html]
  Lärobok i Fortran 95 [html] [pdf]
• For information on utility software, please consult the system pages [here].

Software overview
Table: Overview of most widely used application software and its
availability at NSC.

Software	System
	Neolith	Kappa	Matter
COMSOL
serial and MPI parallel
CPMD
serial
MPI parallel
Dalton
serial
MPI parallel
Dirac
serial
MPI parallel
Fluent
serial
MPI parallel
Gamess-UK
serial
GA parallel
Gamess-US
serial
DDI parallel
Gaussian
serial
Linda parallel
OpenMP parallel
Gromacs
serial
MPI parallel
Matlab
serial
NWChem
serial
MPI parallel
Vasp
serial
MPI parallel