hi, Just from root user type yum install libgfortran.so.3 then it will install this files which is not present in your machine
On Sun, Sep 6, 2009 at 12:20 AM, sreekar guddeti <colonel.sreekar at gmail.com>wrote: > i know this issuehas been addressed and documented in troubleshooting > section of the users guide. > but i giveup in despair trying for a whole day to figure this problem > i run my jobs on rocks cluster by using SGE's facility of submitting batch > jobs > > http://www.rocksclusters.org/roll-documentation/sge/5.2/submitting-batch-jobs.html > > what i 'apparently' observe(or doubtfully infer) is that i can successfully > run a single parallel job, but on submitting a second job i get the error > ____________________________________________ > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > libraries: libgfortran.so.3: cannot open shared object file: No such > file or directory > ____________________________________________ > > > i find out the path for the library and added to the LD_LIBRARY_PATH by > writing > _______________________________________ > #set the library path to include gfortran libraries > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > $ECHO > $ECHO "$LD_LIBRARY_PATH" > $ECHO > _______________________________________ > > in the file which acts as script for qsub ($qsub -pe orte 4 > dosroutine.qsub) which is > > dosroutine.qsub > ----------------------------------------------------------------- > > #!/bin/bash > # > #$ -cwd > #$ -j y > #$ -S /bin/bash > # > > #extract the info about no of processors involved from command line > arguments of 'qsub' > PROCESSORS=$NSLOTS > > #heuristically assign the no of processors per pool NPR > NPR=4 > #as a result no of pools are give by > NPK=`expr $PROCESSORS / $NPR` > > #!/bin/bash > # > # > #Script for performing a dos calculation on a parallel processor > WORKINGDIR=`pwd` > ECHO="echo" > > #set the library path to include gfortran libraries > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > $ECHO > $ECHO "$LD_LIBRARY_PATH" > $ECHO > > # set the needed environment variables > > PREFIX=`cd /home3/colonel/espresso-4.0.5 ; pwd` > $ECHO $PREFIX > BIN_DIR=$PREFIX/bin > PSEUDO_DIR=$PREFIX/pseudo > TMP_DIR=$HOME/tmp > PARA_PREFIX="/opt/openmpi/bin/mpirun -np $PROCESSORS" > PARA_POSTFIX="-npool $NPK" > > # required executables and pseudopotentials > $ECHO > $ECHO " executables directory: $BIN_DIR" > $ECHO " pseudo directory: $PSEUDO_DIR" > $ECHO " temporary directory: $TMP_DIR" > > #create results directory > for DIR in "$TMP_DIR" "$WORKINGDIR/results" ; do > if test ! -d $DIR ; then > mkdir $DIR > fi > done > cd $WORKINGDIR/results > > > # variables to represent programs > PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" > DOS_COMMAND="$PARA_PREFIX $BIN_DIR/dos.x $PARA_POSTFIX" > PROJWFC_COMMAND="$PARA_PREFIX $BIN_DIR/projwfc.x $PARA_POSTFIX" > > > # DOS calculation for 0Ni0 > cat > 0ni0.dos.in << EOF > &control > calculation='nscf' > restart_mode='from_scratch', > prefix='0ni0', > pseudo_dir = '$PSEUDO_DIR/', > outdir='$TMP_DIR/' > / > &system > ibrav=2, celldm(1) =6.48, nat=1, ntyp=1, > nspin = 2, starting_magnetization(1)=0.7, > ecutwfc = 24.0, ecutrho = 288.0, nbnd=8, > occupations='tetrahedra' > / > &electrons > conv_thr = 1.0e-10 > mixing_beta = 0.7 > / > ATOMIC_SPECIES > Ni 58.69 NiUS.RRKJ3.UPF > ATOMIC_POSITIONS > Ni 0.0 0.0 0.0 > K_POINTS {automatic} !special points generated by tetrahedra method > 12 12 12 0 0 0 > EOF > > $ECHO " running DOS calculation for 0Ni0 ...\c" > $PW_COMMAND < 0ni0.dos.in > 0ni0.dos.out > $ECHO > $ECHO " done" > > ------------------------------------------------------------- > > the output i get is > > ************************************************ > :/usr/lib64:/usr/lib > > /home3/colonel/espresso-4.0.5 > > executables directory: /home3/colonel/espresso-4.0.5/bin > pseudo directory: /home3/colonel/espresso-4.0.5/pseudo > temporary directory: /home3/colonel/tmp > running DOS calculation for 0Ni0 ...\c > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > libraries: libgfortran.so.3: cannot open shared object file: No such > file or directory > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > libraries: libgfortran.so.3: cannot open shared object file: No such > file or directory > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > libraries: libgfortran.so.3: cannot open shared object file: No such > file or directory > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > libraries: libgfortran.so.3: cannot open shared object file: No such > file or directory > > done > ************************************************* > plz suggest solutions which donot require root permissions , as i dont have > thanks in advance > -- > Sreekar Guddeti > Department of Physics > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Dr. Bipul Rakshit Research Associate, S N Bose Centre for Basic Sciences, Salt Lake, Kolkata 700 098 India -------------- next part -------------- An HTML attachment was scrubbed... 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