<div dir="ltr">Hi Matthias,<div>I was finally able to get a successful build of CP2K with PLUMED 2.5.2 using the shared library (libplumed.so). All attempts to build with static PLUMED2 libraries did not work. I'm not sure if the static build issues is a result of how I built PLUMED2???? Would you be able to share your Makefile.conf or config.log file(s) that you used to build PLUMED2. </div><div><br></div><div>My successful arch file is attached.</div><div><br></div><div>Thank you for the help and best regards,<br>Jerry<br><div><br><br>On Wednesday, July 31, 2019 at 6:13:33 AM UTC-4, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"> <div lang="EN-US" link="blue" vlink="purple"> <div> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hi Jerry</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">The line with PLUMED_DEPENDENCIES is still commented in your arch file:</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d">#LIBS = $(PLUMED_DEPENDENCIES) -lgsl -ldl -lgslcblas -lz</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d">LIBS = $(LIBXC_LIB)/libxcf03.a $(LIBXC_LIB)/libxc.a</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Try instead:</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d">LIBS = $(PLUMED_DEPENDENCIES) -lgsl -ldl -lgslcblas -lz</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d">LIBS += $(LIBXC_LIB)/libxcf03.a $(LIBXC_LIB)/libxc.a</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:10.0pt;font-family:Consolas;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Best regards</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a> <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a>> <b>On Behalf Of </b>Jerry Tanoury<br> <b>Sent:</b> Mittwoch, 31. Juli 2019 11:52<br> <b>To:</b> cp2k <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a>><br> <b>Subject:</b> Re: [CP2K:12016] Plumed2 error during CP2K build</span></p> <p class="MsoNormal"> </p> <div> <p class="MsoNormal">Hi Matthias,</p> <div> <p class="MsoNormal">The files are posted below. I think the problem is with my plumed2 install, but I'm having trouble tracking down the issue.</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Thank you so much for the help.</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Jerry</p> </div> </div> <p class="MsoNormal"> </p> <div> <div> <p class="MsoNormal">On Wed, Jul 31, 2019 at 3:43 AM Krack Matthias (PSI) <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">mat...@psi.ch</a>> wrote:</p> </div> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hi Jerry</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Can you post your arch file, the content of “plumed/2.5.2/lib/plumed/src/<wbr>lib/Plumed.inc.static” (which contains the definition of PLUMED_DEPENDENCIES), and the error log again. </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Best regards</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a> <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a>> <b>On Behalf Of </b>Jerry Tanoury<br> <b>Sent:</b> Dienstag, 30. Juli 2019 19:42<br> <b>To:</b> cp2k <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a>><br> <b>Subject:</b> Re: [CP2K:12013] Plumed2 error during CP2K build</span></p> <p class="MsoNormal"> </p> <div> <p class="MsoNormal">Thank you Matthias. I built plumed-2.5.2 using "--prefix=/cluster/home/<wbr>tanoury/plumed-2.5.2 CC=mpiicc FC=mpiifort CXX=mpiicpc LIBS=-mkl", updated my arch file to fix LIBS, but got the same error messages and a failed install.</p> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Am I missing something in my plumed2 install??</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Best regards,<br> Jerry<br> <br> On Monday, July 29, 2019 at 12:07:48 PM UTC-4, Matthias Krack wrote:</p> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal">PS: The current trunk CP2K version links also with plumed 2.5.2 cleanly. Check your arch file, since you commented the first line starting with LIBS. Make sure that <a href="http://libplumed.a.is" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Flibplumed.a.is\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNH_TbOZvZ0-o7upD9P-RKm2HH97CQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Flibplumed.a.is\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNH_TbOZvZ0-o7upD9P-RKm2HH97CQ';return true;">libplumed.a.is</a> included in the link step.</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">HTH</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Matthias</p> </div> <p class="MsoNormal"><br> On Monday, 29 July 2019 16:40:34 UTC+2, Matthias Krack wrote:</p> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hi Jerry</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">The regression tester work with plumed version 2.4.1 including the one your arch file is based on.</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Best regards</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span></p> <p class="MsoNormal"><span lang="EN-GB" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"> </span></p> <p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a>c...@googlegroups.com</a> <<a>c...@googlegroups.com</a>> <b>On Behalf Of </b>Jerry Tanoury<br> <b>Sent:</b> Montag, 29. Juli 2019 16:21<br> <b>To:</b> cp2k <<a>c...@googlegroups.com</a>><br> <b>Subject:</b> [CP2K:12000] Plumed2 error during CP2K build</span></p> <p class="MsoNormal"> </p> <div> <div> <p class="MsoNormal">Dear Forum,</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">I am building CP2K using commit dba3465 from the dashboard, but I'm getting the following Plumed2 related error in the attached file. I have also attached my arch file. I greatly appreciate any help on fixing this.</p> </div> <div> <p class="MsoNormal"> </p> </div> <div> <p class="MsoNormal">Best regards,</p> </div> <div> <p class="MsoNormal">Jerry</p> </div> </div> <p class="MsoNormal">-- <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>c...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/c45aaed5-64cb-4760-b6bb-ac688fda2813%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/c45aaed5-64cb-4760-b6bb-ac688fda2813%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/c45aaed5-64cb-4760-b6bb-ac688fda2813%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;"> https://groups.google.com/d/<wbr>msgid/cp2k/c45aaed5-64cb-4760-<wbr>b6bb-ac688fda2813%<wbr>40googlegroups.com</a>.</p> </div> </div> </blockquote> </div> </blockquote> </div> </div> <p class="MsoNormal">-- <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="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.<wbr>com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/5e7e9890-557c-48f9-b0d2-6c71cb0d57e1%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/5e7e9890-557c-48f9-b0d2-6c71cb0d57e1%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/5e7e9890-557c-48f9-b0d2-6c71cb0d57e1%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;"> https://groups.google.com/d/<wbr>msgid/cp2k/5e7e9890-557c-48f9-<wbr>b0d2-6c71cb0d57e1%<wbr>40googlegroups.com</a>.</p> </div> </div> <p class="MsoNormal">-- <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="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.<wbr>com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/FCDF8CAC6EF2504E85F16873A7DF161A4E9BA534%40MBX114.d.ethz.ch?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/FCDF8CAC6EF2504E85F16873A7DF161A4E9BA534%40MBX114.d.ethz.ch?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/FCDF8CAC6EF2504E85F16873A7DF161A4E9BA534%40MBX114.d.ethz.ch?utm_medium\x3demail\x26utm_source\x3dfooter';return true;"> https://groups.google.com/d/<wbr>msgid/cp2k/<wbr>FCDF8CAC6EF2504E85F16873A7DF16<wbr>1A4E9BA534%40MBX114.d.ethz.ch</a>.</p> </blockquote> </div> <p class="MsoNormal">-- <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="javascript:" target="_blank" gdf-obfuscated-mailto="gGRabRHaDQAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.<wbr>com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CANa_qpFSfYpJP7YTHnmtpb9kWiiZvcwPQqoEnZA9cgAsEg5%3Dag%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/CANa_qpFSfYpJP7YTHnmtpb9kWiiZvcwPQqoEnZA9cgAsEg5%3Dag%40mail.gmail.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/CANa_qpFSfYpJP7YTHnmtpb9kWiiZvcwPQqoEnZA9cgAsEg5%3Dag%40mail.gmail.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;"> https://groups.google.com/d/<wbr>msgid/cp2k/CANa_<wbr>qpFSfYpJP7YTHnmtpb9kWiiZvcwPQq<wbr>oEnZA9cgAsEg5%3Dag%40mail.<wbr>gmail.com</a>.</p> </div> </div> </blockquote></div></div></div>