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标题: 集群计算error while loading shared libraries [打印本页]

作者: 西乡新丰客 时间: 2016-06-07 21:22
标题: 集群计算error while loading shared libraries
集群计算时总出现error while loading shared libraries: libmkl_scalapack_lp64.so: cannot open shared object file: No such file or directory的错误提示，但是按照网上教的方法又没法找到libmkl_scalapack_lp64.so文件
脚本如下（脚本中循环、提交脚本、连接脚本、并行计算部分都检测过没问题）

#! /bin/sh
#$ -S /bin/sh
export workdir=`pwd`
export OMP_NUM_THREADS=1
export MKL_NUM_THREADS=1

nps=32
npls=4
NAME=pai3

if [ -f ${NAME} ]
then
rm -fr ${NAME}
else
mkdir ${NAME}
fi

cp ${NAME}.ktest.in `pwd`/${NAME}
cd `pwd`/${NAME}

for (( k=10;k <=100;k=k+5 ))
do

cat > QSUB_${NAME}_kpoints_$k << LLL

#$ -pe orte8x 32
#$ -N kpoints
#$ -cwd
#$ -j y
#$ -l h_cpu=36:00:00

if [ -f ${k}.points.in ]
then rm -f ${k}.points.in
fi

cat > $k.points.in << EOF
K_POINTS {automatic}
$k $k 1 1 1 1
EOF

cat ${NAME}.ktest.in $k.points.in > ${NAME}_conjunction_$k.in

mpirun -np ${nps} /home/work/espresso-5.1/bin/pw.x -npool ${npls} <`pwd`/${NAME}_conjunction_$k.in >> `pwd`/${NAME}_vcrelax_$k.out

echo "$INPUT_PAHT"

rm -f $k.points.in ${NAME}_conjunction_$k.in
LLL

qsub `pwd`/QSUB_${NAME}_kpoints_$k

done

单独运行mpirun也没问题。为什么会出现/home/work/espresso-5.1/bin/pw.x：error while loading shared libraries: libmkl_scalapack_lp64.so: cannot open shared object file: No such file or directory？？？
如网上方法找到 libmkl_scalapack_lp64.so放入etc/ld.so.conf，在集群上该如何做？

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