<div dir="ltr">Dear Jana(?),<div><br></div><div style> I don't know whether this helps, but a few notes:</div><div style><br></div><div style> - With the second "export LD_LIBRARY_PATH..." you overwrite the first assigment; is this what you wanted? Usually one uses</div> <div style>export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:<new_directory> (or prepending the <new_directory>)</div><div style><br></div><div style> - The value of the second assignment points to a dynamic library directly, but it should point to a _directory_</div> <div style><br></div><div style> - This problem comes directly from the 'mpiexec', not CP2K itself. It seems that the user has compiled the MPI oneself; hopefully this is useful on your machine: In general it is the system administrators who set up a consistent and working MPI environment</div> <div style><br></div><div style> Greetings,</div><div style><br></div><div style> apsi</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/3/17 Jana <span dir="ltr"><<a href="mailto:jahodov...@gmail.com" target="_blank">jahodov...@gmail.com</a>></span><br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear all, <div>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 available...so 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.</div> <div><br></div><div>I got his binary and dynamically linked libs via cp -a so with links, but I keep getting</div><div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"> $ ldd ./bin/mpiexec<br> linux-vdso.so.1 => (0x00007fff12a74000)<br> libopen-rte.so.4 => not found</blockquote></div><div>or </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"> $ ldd /storage/home/his-username/bin/mpiexec<br> linux-vdso.so.1 => (0x00007fff2cdff000)<br> libopen-rte.so.4 => not found</blockquote><div><br></div><div>while he has at the same time</div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"> <span style="font-family:arial,sans-serif">$ ldd /home/his-username/storage/bin/</span><u></u><span style="font-family:arial,sans-serif">mpiexec<br></span><span style="font-family:arial,sans-serif"> linux-vdso.so.1 => (0x00007fff57d33000)<br> </span><span style="font-family:arial,sans-serif"> libopen-rte.so.4 => /home/his-username/CP2K/lib/libopen-</span><u></u><span style="font-family:arial,sans-serif">rte.so.4 (0x00007fdb28ffd000)</span></blockquote> <div><br></div><div>I changed my script for PBS so that I added the red line<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"> ...<br>echo 'export LD_LIBRARY_PATH=/storage/home/$USER/lib' >> $go<br>echo 'export PATH=/storage/home/$USER/bin:'$PATH >> $go<br>echo 'echo "env:"; env' >> $go<br>echo 'echo "nodes:"; cat $PBS_NODEFILE; echo libs:; ls /storage/home/$USER/lib; echo bin:; ls /storage/home/$USER/bin' >> $go<br> <font color="#cc0000">echo 'export LD_LIBRARY_PATH=/storage/home/$USER/lib/libopen-rte.so.4' >> $go<br></font>echo /storage/home/$USER/bin/'mpiexec --hostfile $PBS_NODEFILE -x LD_LIBRARY_PATH='$LD_LIBRARY_PATH' -x PATH='$PATH' cp2k.popt '$base'.in > '$base'.log 2>&1' >> $go<br> ...</blockquote><div><br></div><div>but in the logfile (using input for h2o from regtests) I keep getting</div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"> /storage/home/mathausj/bin/mpiexec: error while loading shared libraries: libopen-rte.so.4: cannot open shared object file: No such file or directory</blockquote><div><br></div><div><br></div><div>though</div><div><br></div> <div><br></div><div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small">$ ls lib</div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small">total 15936</div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"> -rwxr-xr-x 1 mathausj meta 20323 2013-03-14 09:59 libmpi_f90.so.3</div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small">-rwxr-xr-x 1 mathausj meta 2002819 2013-03-14 09:59 libmpi_f77.so.1</div> <div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small">-rwxr-xr-x 1 mathausj meta 10282011 2013-03-14 09:59 libmpi.so.1</div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"> -rwxr-xr-x 1 mathausj meta 4006084 2013-03-14 16:52 libopen-rte.so.4</div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"><br></div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"> <br></div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small">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 perfectly...</div> <span class="HOEnZb"><font color="#888888"><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"><br></div><div style="color:rgb(51,51,51);font-family:verdana,sans-serif;font-size:small"><br></div> </font></span></div><span class="HOEnZb"><font color="#888888"> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> Visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br> For more options, visit <a href="https://groups.google.com/groups/opt_out" target="_blank">https://groups.google.com/groups/opt_out</a>.<br> <br> <br> </font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br>-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br> Ari P Seitsonen / <a href="mailto:Ari.P.S...@iki.fi">Ari.P.S...@iki.fi</a> / <a href="http://www.iki.fi/~apsi/">http://www.iki.fi/~apsi/</a><br> Physikalisch-Chemisches Institut der Universität Zürich<br> Tel: +41 44 63 55 44 97 / Mobile: +41 79 71 90 935 </div>