Trouble with

Jana jahodov... at
Sun Mar 17 09:45:53 UTC 2013

Dear all, 
I have managed to compile cp2k-2.3 at a supercomputer using their mklroot, 
mpi and my fftw and libint but there is a problem with run while using 
different nodes probably due to the old version of mpi i was 
sent another version compiled by another user at the same supercomputer but 
the user didn't use anything default, all libs his own.

I got his binary and dynamically linked libs via cp -a so with links, but I 
keep getting

> $ ldd ./bin/mpiexec
> =>  (0x00007fff12a74000)
> => not found


> $ ldd /storage/home/his-username/bin/mpiexec
> =>  (0x00007fff2cdff000)
> => not found

while he has at the same time

> $ ldd /home/his-username/storage/bin/mpiexec
> =>  (0x00007fff57d33000)
> => /home/his-username/CP2K/lib/ 
> (0x00007fdb28ffd000)

I changed my script for PBS so that I added the red line

> ...
> echo 'export LD_LIBRARY_PATH=/storage/home/$USER/lib' >> $go
> echo 'export PATH=/storage/home/$USER/bin:'$PATH >> $go
> echo 'echo "env:"; env' >> $go
> echo 'echo "nodes:"; cat $PBS_NODEFILE; echo libs:; ls 
> /storage/home/$USER/lib; echo bin:; ls /storage/home/$USER/bin' >> $go
> echo 'export LD_LIBRARY_PATH=/storage/home/$USER/lib/' >> 
> $go
> echo /storage/home/$USER/bin/'mpiexec --hostfile $PBS_NODEFILE -x 
> LD_LIBRARY_PATH='$LD_LIBRARY_PATH' -x PATH='$PATH' cp2k.popt '$base'.in > 
> '$base'.log 2>&1' >> $go
> ...

but in the logfile (using input for h2o from regtests) I keep getting

> /storage/home/mathausj/bin/mpiexec: error while loading shared libraries: 
> cannot open shared object file: No such file or directory


$ ls lib
total 15936
-rwxr-xr-x 1 mathausj meta    20323 2013-03-14 09:59
-rwxr-xr-x 1 mathausj meta  2002819 2013-03-14 09:59
-rwxr-xr-x 1 mathausj meta 10282011 2013-03-14 09:59
-rwxr-xr-x 1 mathausj meta  4006084 2013-03-14 16:52

I am sorry to bother you with this problem, but I am really clueless... 
Have emailed helpdesk and the user who compiled it but none of them has 
solution to this problem, if executed from that user's account, cp2k works 

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