[Wien] running Wien2k on OpenMPi with LSF facility

[Ivas Toni]

Dear All,

I am trying to run Wien2k with OpenMPI and LSF loader. The problem is
submitting the job to the
LSF facility. If I run the job with x lapw1 -p a proper .machines file
needs to be generated.
I used this script "run_mpi":

#!/bin/bash
source ~/.bash_profile

# load all the modules
#module load mkl

# change in the working directory
#cd supercell

# start creating .machines
rm -fr .machines

echo -n 'lapw0: ' >> .machines
line="1:"
for i in `echo $LSB_MCPU_HOSTS`
do
        echo $i | egrep "^[1-9]+"
        if [[ $? -eq 0 ]]
        then
            echo -n  ":$i "  >> .machines
            line="$line:$i"
        else
            echo -n  $i >> .machines
            line="$line $i"
        fi
done
echo ' ' >> .machines
echo $line >> .machines
echo 'granularity:1' >> .machines
echo 'extrafine:1' >> .machines
# Wien2k command goes here
-----

This creates the following .machines file

lapw0: a6229:4  
1: a6229:4
granularity:1
extrafine:1

But after running with the:
bsub -n 4 ./run_mpi 

It dies somewhere in lapw1para saying that it can't cat:
cat: No match. 

Running lapw1_mpi "manually" works:
bsub -n 4 ompirun lapw1_mpi lapw1.def
  
The version of linux on the cluster is:
2.6.18-128.7.1.el5 #1 SMP Mon Aug 24 08:21:56 EDT 2009 x86_64 x86_64
x86_64 GNU/Linux

Thank you very much,
Toni Ivas