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.)
Debrecen2 and Debrecen3
Mostly available.
Debrecen2 contains Nvidia K20x, and K40x GPUs Contains 16 Ivy bridge cores per node.
Debrecen3 contains Xeon phi accelators which we cannot use. We can only use the 24 Haswell cores per node.
Debrecen
Mostly available.
Contains 12 Westmere cores per node.
Budapest
Contains 24 AMD K10 (Magny-Cours) cores per node. It is usually empty.
It is wrapped up from 4 six-core physical CPU's with HyperTransport. You need to set to set NCORE=6 for VASP here, otherwise your job won't scale, since the interconnection between the nodes and even the cpu dies is rather slow.
Szeged
Mostly available.
Contains 48 AMD K10 (Magny-Cours) cores per node.
It is wrapped up from 8 six-core physical CPU's with HyperTransport. You need to set to set NCORE=6 for VASP here, otherwise your job won't scale, since the interconnection between the nodes and even the cpu dies is rather slow.
Budapest2
Keep in mind that you cannot allocate more than ~10% physical memory due (possibly?) kernel bug. If you exceed a limit your job will slow down by 100x than normal. Use this computer only if your job uses less than ~500 MB memory per MPI process.
Contains Xeon phi accelators which we cannot use. We can only use the 20 ivy bridge cores per node.
Miskolc OFFLINE
Offline since ~2016 january
Miskolc UV2000 seems online (you can log in) but the slurm seem broken. It is undergoing a software update more than a half year.
Pecs OFFLINE
Offline since 03/30/2016
Pecs computer never recieved more than ~20% uptime since its installation.
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