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
Budapest2
Debrecen2
Miskolc
Pecs
Debrecen
Budapest
Szeged
Debrecen
Debrecen
This system maintained by NIIF.
Specification
Type | SGI ICE8400EX |
# of CPUs / node | 2 |
# of cores / CPU | 6 |
Memory / node | 47 GB |
Memory / core | 3.9 GB |
CPU | Intel Xeon X5680 @ 3.33 GHz SMT on |
Architecture | x86_64 / intel64 / em64t little-endian |
Scheduler | Slurm |
MPI | SGI MPT (mpt), Intel MPI (impi), Open MPI (ompi) |
Precompiled Environment
From Skynet sync up the precompiled environment:
cd /share/niif/debrecen sshput -m debrecen -s .
Log into debrecen: You can do this with putty, etc if you don't like logging into debrecen from Skynet.
sshto -m debrecen
Then add the following into your .profile:
PATH=$PATH:$HOME/bin
VASP
We use intel MPI for VASP. The SGI MPT version might be good, but it might break the nodes with unkillable orphan processes, beware! Generally please stick to the impi version supplied here if possible.
First please transfer the compiled VASP binary and projectors from skynet. Log into "skynet"
cd /share/niif/ sshput -t 2 -m debrecen -s vasp/5.4.1.03082016.impi sshput -t 2 -m debrecen -s vasp/proj echo -e "\nexport VASP_PROJ_HOME=$HOME/vasp/proj" >> $HOME/.profile
Log into "debrecen" You can find a sample job of an ozone molecule in $HOME/jobsamples
cd $HOME/jobsamples/ozone
Please fill your email in the debrecen jobfile,
mcedit debrecen_impi
then submit it:
sbatch debrecen_impi
This job should finish in mere seconds. Please replace the partition to "prod" from "test" for actual large scale runs.
#SBATCH --partition=prod
You can easily increase the number of nodes:
#SBATCH --nodes=4
Job Monitoring
Pécs
The system is maintained by NIIF.
Specification
Type | SGI UV 1000 |
# of CPUs / node | 2 |
# of cores / CPU | 6 |
Memory | 6 TB |
CPU | Intel Xeon X7542 @ 2.66 GHz SMT off |
Architecture | x86_64 / intel64 / em64t little-endian |
Scheduler | Slurm |
MPI | SGI MPT (mpt) |
ESZR | local |
Szeged
The system is maintained by NIIF.
Specification
Type | HP CP4000BL |
# of CPUs / node | 4 |
# of cores / CPU | 12 |
Memory / node | 132 GB |
Memory / core | 2.75 GB |
CPU | AMD Opteron 6174 @ 2.2GHz |
Architecture | x86_64 / intel64 / em64t little-endian |
Scheduler | Slurm |
MPI | Intel (impi) |
ESZR | local |
Budapest
The system is maintained by NIIF.
Specification
Type | HP CP4000BL |
# of CPUs / node | 2 |
# of cores / CPU | 12 |
Memory / node | 66 GB |
Memory / core | 2.75 GB |
CPU | AMD Opteron 6174 @ 2.2GHz |
Architecture | x86_64 / intel64 / em64t little-endian |
Scheduler | Slurm |
MPI | Intel (impi) |
ESZR | local |