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bjwang
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ºØÒÇ: ½ð±Ò+1, лл½»Á÷ 2012-05-16 20:00:13
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ºØÒÇ: ½ð±Ò+1, лл½»Á÷ 2012-05-16 20:00:13
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2Â¥2012-05-16 15:25:51
liuxiaocunde
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
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- ³æºÅ: 536180
- ×¢²á: 2008-03-30
- ÐÔ±ð: GG
- רҵ: ¹ÌÌåÎÞ»ú»¯Ñ§

3Â¥2012-06-08 09:29:35
yh3166
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fzx2008: ½ð±Ò+3, лл·ÖÏí 2012-06-12 20:17:03
fzx2008: ½ð±Ò+3, лл·ÖÏí 2012-06-12 20:17:03
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#!/bin/sh #PBS -N #ÎļþÃû³Æ #PBS -d ./ #PBS -o ./ #PBS -e ./ #PBS -l nodes=2:ppn=8 #Õâ¸ö²»½âÊÍÁ衃 #PBS -l walltime=240:00:00 #PBS -l mem= #PBS -q paraque #²¢ÐÐ »¹Óд®ÐУ¬ÅÖ½Úµã ×Ô¼ºËÑËÑ #PBS -V source /opt/intel/impi/3.1/bin64/mpivars.sh source /opt/intel/cce/10.1.021/bin/iccvars.sh source /opt/intel/fce/10.1.021/bin/ifortvars.sh source /opt/intel/mkl/10.1.2.024/tools/environment/mklvarsem64t.sh ## wien2k env ################################################################# curdir=`pwd` # added by WIEN2k: BEGIN # -------------------------------------------------------- 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 $curdir" export OMP_NUM_THREADS=1 #export LD_LIBRARY_PATH=..... export EDITOR="xterm -e vi" export SCRATCH=$curdir export WIENROOT=/opt/issp2/wien2k #Õâ¸öÄã¿ÉÒԸĸÄĿ¼£¬²»Í¬°æ±¾ 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" # -------------------------------------------------------- # added by WIEN2k: END EXEC="runsp_lapw -ec 0.00001 -cc 0.0001 -i 10 -p" #ÃüÁ×îÖØÒªµÄ 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":1" >> .machines done echo "extrafine:1" >> .machines rm -f nodelist.$$ $EXEC |
4Â¥2012-06-12 19:52:12
ÑîѰ
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
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- Ìû×Ó: 1146
- ÔÚÏß: 367Сʱ
- ³æºÅ: 952321
- ×¢²á: 2010-02-04
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- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
5Â¥2012-11-02 14:44:00













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