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#!/bin/bash

# example for 1 nodes
#PBS -N test
#PBS -l nodes=1:ppn=8
#PBS -j oe
#PBS -q qvasp

# change into your working directory
cd $PBS_O_WORKDIR

# setting up local SCRATCH
export SCRATCH=/tmp/$PBS_JOBID

cat $PBS_NODEFILE > nodelist
export num=`wc -l < nodelist`


/hptc_cluster/software/mpich2-1.2/bin/mpiexec -n $num -machinefile nodelist /hptc_cluster/software/vaspmpi/vasp.4.6/vasp

rm nodelist

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[ Last edited by wuli8 on 2009-11-28 at 09:52 ]
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Originally posted by y1ding at 2009-11-25 18:38:
-machinefile $PBS_NODEFILE

4Â¥2009-11-26 10:06:40
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y1ding

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-machinefile $PBS_NODEFILE
2Â¥2009-11-25 18:38:37
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zhangwc5020

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mingdong(½ð±Ò+1,VIP+0):¸Ðл½»Á÷£¡ 11-26 16:43
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3Â¥2009-11-26 09:55:43
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jglee646

½ð³æ (СÓÐÃûÆø)

Ôõôָ¶¨±àÒëÆ÷£¿vasp±àÒ붼ͨ¹ýÁË£¬mpiÊDz»»áÓÐÎÊÌâµÄ
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Originally posted by zhangwc5020 at 2009-11-26 09:55:
ÎÒÒ²Óöµ½¹ýÀàËÆµÄÎÊÌ⣺mpiÓÐÎÊÌâ

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