集群計算error while loading shared libraries

西鄉(xiāng)新豐客

集群計算時總出現(xiàn)error while loading shared libraries: libmkl_scalapack_lp64.so: cannot open shared object file: No such file or directory的錯誤提示，但是按照網(wǎng)上教的方法又沒法找到libmkl_scalapack_lp64.so文件
腳本如下（腳本中循環(huán)、提交腳本、連接腳本、并行計算部分都檢測過沒問題）

#! /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

單獨運行mpirun也沒問題。為什么會出現(xiàn)/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？？？
如網(wǎng)上方法找到 libmkl_scalapack_lp64.so放入etc/ld.so.conf，在集群上該如何做？