MPC Group/並列計算機
Hostname: xc30.jaist.ac.jp
- System 360nodes / 5760cpu cores
- Node Spec
- Intel Xeon E5-2670 2.6GHz (Sandy-Bridge) 8Cores * 2sockets
- Memory 64GB
- Compilar
- Library
- LibSC(BLAS, LAPACK, BLACS, SCALAPACK, SuperLU), CrayFFT, FFTW, IRT
- Software
- OpenMX(under-construction), Quantum-Espresso, Wien2K, SIESTA, VASP
- /work/appli/を参照
- VASPに関してはライセンスの制約.使用の際はセンターに連絡
- OpenMXについては最適なものを構築中
Queue CLASS †
CLASS | NODE/CORE | TIME | EXECUTABLE JOB | EXECUTABLE JOB/USR |
---|
TINY | 1-4node/1-64/core | 30min | N/A | N/A |
SMALL | 4-16node/64-256core | 48hour | N/A | 6jobs/usr |
MEDIUM | 16-32node/256-512core | 12hour | 6job | 3job/usr |
LARGE | 32-128node/512-2048core | 12hour | 2job | 1job/usr |
XLARGE | 128-356node/2048-5696core | 12hour | 1job | 1job/usr |
LONG-S | 1-8node/1-128core | 1week | 4job | 1job/usr |
LONG-M | 8-32node/128-512core | 96hour | 2job | 1job/usr |
LONG-L | 360node | application | application | application |
Example of Script for PBS †
#!/bin/bash
#PBS -q QUEUE CLASS
#PBS -l mppwidth=32
#PBS -l mppnppn=16
#PBS -l mppdepth=1
cd $PBS_O_WORKDIR
aprun -n 32 -d 1 -N 16 ./a.out
- mppwidth=number of process of mpi
- mppnppn= number of process per nodes
- mppdepth=number of thread <-- when a program is mpi parallel, number of thread equal 1.
- $PBS_O_WORKDIR <-- work direcotry
Useful Command †
Command | Description |
qsub <PBS script> | submit a job to PBS batch system |
nqstat | confirm the state of job |
qdel <PBS script> | abort your job |
情報科学センターのページ
http://isc-w3.jaist.ac.jp/iscenter/index.php?id=300