<div dir="ltr"><div><div>Hi Alfio,<br></div>Thanks once again. The library
/apps/openmpi/gcc/6.2.0/3.0.0/<wbr>lib/libmpi_usempif08.a exists. Removing the -static flag solved the problem. I also had to add the library libxcf03.a to the LIB path. <br><br>I attach my arch.make in case somebody else wants to use it to compile cp2k with gcc/6.2.0 and openmpi/<a href="http://3.0.0.">3.0.0.</a> I will test it though to ensure that cp2k.popt runs fine.<br><br>Just one more question, in case I decide to use a different openmpi version installed in my $HOME/progs directory, what changes should I make in my arch.make so that the compiler knows where to find these libraries?<br><br></div>Thanks,<br></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">- Fernan<br></div></div></div>
<br><div class="gmail_quote">On Thu, Mar 1, 2018 at 1:19 PM, Alfio Lazzaro <span dir="ltr"><<a href="mailto:alfio....@gmail.com" target="_blank">alfio....@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Good, the output is pretty similar to mine. Then, the next question is: which libraries are at /apps/openmpi/gcc/6.2.0/3.0.0/<wbr>lib. Do you have the static library:<div><br></div><div>/apps/openmpi/gcc/6.2.0/3.0.0/<wbr>lib/libmpi_usempif08.a<br></div><div><br></div><div>?</div><div><br></div><div>My guess is that your OpenMPI version was not configured to have static libraries (see <a href="https://www.open-mpi.org/faq/?category=mpi-apps#static-mpi-apps" target="_blank">https://www.open-mpi.org/<wbr>faq/?category=mpi-apps#static-<wbr>mpi-apps</a>), therefore you have to link dynamically. If so, you can just remove -static in your arch file (<span style="color:rgb(0,0,0);font-family:monospace">LDFLAGS).</span></div><div><br></div><div>Alfio</div><div><div><br></div><div><span class=""><br>Il giorno giovedì 1 marzo 2018 13:49:53 UTC+1, Fernan Saiz ha scritto:</span><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><span class=""><div><div><div>Hi Alfio,<br></div>Many thanks for your message. If type mpif90 --showme:link, the screen prompts:<br><br>-pthread -I/apps/openmpi/gcc/6.2.0/3.0.<wbr>0/lib -Wl,-rpath -Wl,/apps/openmpi/gcc/6.2.0/3.<wbr>0.0/lib -Wl,--enable-new-dtags -L/apps/openmpi/gcc/6.2.0/3.0.<wbr>0/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi<br><br></div>For completeness, I am showing also the distribution information of my Unix cluster:<br><br>Red Hat Enterprise Linux Server release 6.9 <br><br></div>Thanks again,<br></span><div><br clear="all"><div><div><div dir="ltr">- Fernan<br></div></div></div><div><div class="h5">
<br><div class="gmail_quote">On Thu, Mar 1, 2018 at 12:38 PM, Alfio Lazzaro <span dir="ltr"><<a rel="nofollow">alfi...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hello Fernan,<div>I'm not sure why the mpiwrapper cannot find the library...</div><div>What do you get from:</div><div><br></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">mpif90 --showme:link</span><br></span></div><div><br></div><div>? I assume that you should have the path to the MPI libraries and -lmpi_usempif08. For instance, my case I have:</div><div><br></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">-pthread -I/sw/build/openSUSE/13.1/para<wbr>/openmpi/openmpi-2.0.1_gcc-5.<wbr>3.0/lib64 -Wl,-rpath -Wl,/sw/build/openSUSE/13.1/pa<wbr>ra/openmpi/openmpi-2.0.1_gcc-<wbr>5.3.0/lib64 -Wl,--enable-new-dtags -L/s</span>w/build/openSUSE/13.1/para<wbr>/openmpi/openmpi-2.0.1_gcc-5.<wbr>3.0/lib64 -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi<br></span></div><div><br></div><div>You cannot directly link the library since the MPI wrapper does that for you. I wonder if the problem is in the dynamic/static linking...</div><div><br></div><div>Alfio</div><div><span><br><br>Il giorno giovedì 1 marzo 2018 13:20:09 UTC+1, Fernan Saiz ha scritto:</span><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><span><div dir="ltr"><div><div><div>Hi,<br></div>I did try to link it but I got the error:<br>/usr/bin/ld: attempted static link of dynamic object `/apps/openmpi/gcc/6.2.0/3.0.0<wbr>/lib/libmpi_usempif08.so'<br><br></div>I also tried to link the library <br>/usr/bin/ld: attempted static link of dynamic object `/apps/openmpi/gcc/6.2.0/3.0.0<wbr>/lib/<a href="http://libmpi_usempif08.la" rel="nofollow" target="_blank">libmpi_usempif08.la</a>'<br>but I got the following error:<br>/apps/openmpi/gcc/6.2.0/3.0.0/<wbr>lib/<a href="http://libmpi_usempif08.la" rel="nofollow" target="_blank">libmpi_usempif08.la</a>: file not recognized: File format not recognized<br><br></div>Thanks,<br><div><br></div></div></span><div><br clear="all"><div><div><div dir="ltr">- Fernan<br></div></div></div>
<br><div class="gmail_quote"><span>On Thu, Mar 1, 2018 at 12:10 PM, Jerry Tanoury <span dir="ltr"><<a rel="nofollow">jerr...@gmail.com</a>></span> wrote:<br></span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span><div dir="ltr">It seems you have commented out your LIB path $(MPI_LIB)/libmpi_usempif<wbr>08.so, so CP2K is not seeing the library path to libmpi_usempif08.so<div><br></div><div>Best,</div><div>Jerry</div></div></span><div><br><div class="gmail_quote"><span><span>On Thu, Mar 1, 2018 at 7:01 AM, Fernan Saiz <span dir="ltr"><<a rel="nofollow">fsa...@gmail.com</a>></span> wrote:<br></span></span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span><div dir="ltr">Hi all,<br>I am trying to compile cp2k with gcc/6.2.0 and openmpi/gcc/6.2.0/<a href="http://3.0.0." rel="nofollow" target="_blank">3.0.0.</a> However, my compilation stops with error /usr/bin/ld: cannot find -lmpi_usempif08 as shown in the attached file log_compile.txt. I have load the modules gcc/6.2.0 and openmpi/gcc/6.2.0/3.0.0 and the library libmpi_usempif08.a shows in the path lib of the opempi compiler. I also attach my arch.make file. Any help is much appreciated. <br><span><br>Best regards,<br> - Fernan Saiz, PhD<br>Department of Chemistry<br>Imperial College London<span><font color="#888888"><br></font></span></span></div></span><span><font color="#888888"><span><font color="#888888"><span>
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