[[MPC Group]]/[[並列計算機]] *Cray XC30 [#cc3631e8] Hostname: xc30.jaist.ac.jp -System 360nodes / 5760cpu cores --Node Spec ---Intel Xeon E5-2670 2.6GHz (Sandy-Bridge) 8Cores * 2sockets ---Memory 64GB -Compilar --Cray, Intel, GNU -Library --LibSC(BLAS, LAPACK, BLACS, SCALAPACK, SuperLU), CrayFFT, FFTW, IRT -Software -- OpenMX(under-construction), Quantum-Espresso, Wien2K, SIESTA, VASP -- #/work/appli/ -- #VASPに関してはライセンスの使用制限があり,センターに連絡 -- #OpenMXについては,構築中 --- /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 [#x9ea6430] |~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 [#i4fc540d] #!/bin/bash #PBS -q QUEUE CLASS #PBS -l mppwidth=32 #PBS -l mppnppn=16 #PBS -l mppdepth=1 cd $PBS_O_WORKDIR aprun -n 32 -d 1 -N 16 ./a.out -mppwidth=number of process of mpi -mppnppn= number of process per nodes -mppdepth=number of thread <-- &color(red){when a program is mpi parallel, number of thread equal 1.}; -$PBS_O_WORKDIR <-- &color(red){work direcotry}; *Useful Command [#vb40aa95] |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