NIIF Systems

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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.)

Before you begin, make sure you can log in to skynet, and your shf3 is installed on skynet.

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 and full with long queues.

Contains 12 Westmere cores per node.

Budapest

Mostly available and empty.

Contains 24 AMD K10 (Magny-Cours) cores per node. Keep in mind that a K10 core offers 50% performance that of an intel Haswell core in debrecen3.

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 interconnections between the nodes and even the cpu dies are rather slow.

Szeged

Any MPI implementation fails to run in machine at the moment and blocked by the scheluder, thus it is mostly empty now.

Mostly available and full with long queues

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 interconnections between the nodes and even the cpu dies are rather slow.

Budapest2 - MEMORY PROBLEMS

Mostly available and empty.

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 ~300 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

Mostly available. Use impi build there as long as the sgi MPT environment is not set up.

Pecs - OFFLINE

Offline since 03/30/2016

Pecs computer was always below ~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 proprietary SGI machine, with MPT runtime to use this compilation.

Runs on, skynet, pecs, miskolc, debrecen

Please do not use this on debrecen, it poisons the nodes with memory consuming uninterruptible orphan processes, if your job tries to allocate more memory than allowed or any receives any other interrupt signal from slurm! (I dont know if skynet, pecs, miskolc are affected from this.)