NIIF Systems
NIIF systems are maintained by NIIF.
There are useful guides about it in their wikipedia, but mostly in hungarian.
Legacy information: Computing Service Legacy
How to set up NIIF computers
The following links/pages contain howtos about the installation of NIIF supercomputers with our ab-initio programs. (VASP, TURBOMOLE, etc.)
Budapest2
Debrecen2 and Debrecen3
Miskolc
Pecs
Debrecen
Budapest
Szeged
Debrecen
VASP compilations
xxxxxxxx.impi
Statically linked compilation, with intel compilers and MKL
You need an installed intel MPI (impi) runtime to use this compilation.
Usable on: skynet, debrecen, budapest, szeged, budapest2, debrecen3
xxxxxxxx.impi.7.0cuda
Dynamically linked compilation, against intel compilers, MKL, and nvidia CUDA
This GPU port exculsively for nvidia GPU's at debrecen2
Keep in mind that there are no gamma only version available yet!
xxxxxxxx.ompi
Statically linked compilation, with intel compilers and MKL
You need an installed openMPI (ompi) runtime to use this compilation.
Not extensively tested, however it runs on budapest2
xxxxxxxx.mpt
Statically linked compilation, with intel compilers and MKL
You need an installed openMPI (ompi) runtime to use this compilation.
Not extensively tested, however it runs on budapest2