浪潮集群系統(tǒng)使用規(guī)范-浪潮培訓(xùn)教材-文庫(kù)吧資料
2025-03-19 20:59本頁(yè)面
【正文】 PBS l walltime=240:00:00 PBS l mem=4gb PBS q allque 16 Inspur group 四：計(jì)算任務(wù)投放 配置 MPI環(huán)境 (VASP) ulimit s unlimited source /opt/intel/Compiler/source /opt/intel/Compiler/source /opt/intel/mkl/source /opt/intel/impi/EXEC=/opt/issp2/ 17 Inspur group 四：計(jì)算任務(wù)投放 配置 MPI環(huán)境 (VASP) NP=`cat $PBS_NODEFILE | wc l` NN=`cat $PBS_NODEFILE | sort | uniq | tee /tmp/nodes.$$ | wc l` cat $PBS_NODEFILE /tmp/nodes.$$ sed i s/$/ib:8/ /tmp/nodes.$$ mpdboot n $NN f /tmp/nodes.$$ r ssh mpiexec genv I_MPI_DEVICE rdma machinefile /tmp/nodes.$$ n $NP $EXEC mpdallexit rm f /tmp/nodes.$$ 18 Inspur group 四：計(jì)算任務(wù)投放 配置 環(huán)境 wien2k alias lsi=ls aslp *.in* alias lso=ls aslp *.ou* alias lsd=ls aslp *.def alias lsc=ls aslp *.cl* alias lss=ls aslp *.sc* alias lse=ls aslp *.error alias pslapw=ps ef |grep lapw alias cdw=cd $curdir export EDITOR=xterm e vi export SCRATCH=$curdir 19 Inspur group 四：計(jì)算任務(wù)投放 配置 環(huán)境 wien2k export WIENROOT=/opt/issp2/wien2k export W2WEB_CASE_BASEDIR=$curdir export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin export PDFREADER=acroread export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:. export OCTAVE_EXEC_PATH=${PATH}:: export OCTAVE_PATH=${STRUCTEDIT_PATH}:: export PATH=$PATH:$WIENROOT:. ulimit s unlimited alias octave=octave p $OCTAVE_PATH 20 Inspur group 四：計(jì)算任務(wù)投放 配置 環(huán)境 wien2k EXEC=/opt/issp2/wien2k/runsp_lapw ec cc i 400 p cat $PBS_NODEFILE nodelist.$$ sed i s/$/ib/ nodelist.$$ echo .machines echo granularity:1 .machines echo lapw0:`sed n 1p nodelist.$$` .machines for i in `cat nodelist.$$` do echo 1:$i .machines done echo extrafine:1 .machines rm f nodelist.$$ $EXEC 21 Inspur group 四：計(jì)算任務(wù)投放 配置 環(huán)境 Gaussian export GAUSS_EXEDIR=/opt/issp2/g03 export g03root=/opt/issp2/ export PATH=/opt/issp2/g03:/opt/issp2/g03/I8/bin:$PATH export GAUSS_SCRDIR=/lustre/ISSP2/dyliu/g03tmp export LINDA_PATH=/opt/issp2/g03/ source /opt/issp2/g03/bsd/
教學(xué)課件相關(guān)推薦
鄂ICP備17016276號(hào)-1