<div dir="ltr"><div>Hello,</div><div><br></div><div>I am compiling cp2k with toolchain tools and try to include elpa library. <br></div><div><br></div><div>I am using gcc/7.2.0 and openmpi/3.1.3 and the math library is from intel/18.0.3 mkl. I've tested both cp2k-6.1 and most recent master branch and the compiling has the similar errors.<br></div><div><br></div><div>The command looks like this:</div><div><div style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #660;" class="styled-by-prettify">./</span><span style="color: #000;" class="styled-by-prettify">install_cp2k_toolchain</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">sh </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #000;" class="styled-by-prettify">mpi</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">mode</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">openmpi </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #000;" class="styled-by-prettify">math</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">mode</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">mkl </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">gcc</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">system </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">openmpi</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">system </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">libxc</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">install </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">fftw</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">install </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">libint</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">install </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">reflapack</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">acml</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">mkl</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">system </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">openblas</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">libxsmm</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify">  </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">elpa</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">install </span><span style="color: #660;" class="styled-by-prettify">--</span><span style="color: #008;" class="styled-by-prettify">with</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">sirius</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #008;" class="styled-by-prettify">no</span></div></code></div><br><br></div><div>While the toolchain always fails at the compiling elpa library. <br></div><div></div><div><br></div><div>The configure.log and make.log are attached.  There are many errors like this for example:</div><div><div style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #660;" class="styled-by-prettify">):</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">In</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #008;" class="styled-by-prettify">function</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #080;" class="styled-by-prettify">`blacs_gridmap__':<br>blacs_gridmap_.c:(.text+0x1fb): undefined reference to `</span><span style="color: #000;" class="styled-by-prettify">mkl_serv_get_mpi_wrappers</span><span style="color: #080;" class="styled-by-prettify">'<br>blacs_gridmap_.c:(.text+0x20a): undefined reference to `mkl_serv_get_mpi_wrappers'</span><span style="color: #000;" class="styled-by-prettify"><br>blacs_gridmap_</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">:(.</span><span style="color: #000;" class="styled-by-prettify">text</span><span style="color: #660;" class="styled-by-prettify">+</span><span style="color: #066;" class="styled-by-prettify">0x22c</span><span style="color: #660;" class="styled-by-prettify">):</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #008;" class="styled-by-prettify">undefined</span><span style="color: #000;" class="styled-by-prettify"> reference to </span><span style="color: #080;" class="styled-by-prettify">`mkl_serv_get_mpi_wrappers'<br>blacs_gridmap_.c:(.text+0x244): undefined reference to `</span><span style="color: #000;" class="styled-by-prettify">mkl_serv_get_mpi_wrappers</span><span style="color: #080;" class="styled-by-prettify">'<br>blacs_gridmap_.c:(.text+0x584): undefined reference to `mkl_serv_get_mpi_wrappers'</span><span style="color: #000;" class="styled-by-prettify"><br><br></span></div></code></div></div><div><br></div><div><br></div><div>Does any one know how to fix this error? Thank you very much.</div><div><br>Best Wishes,</div><div><br>Geng<br></div><div> <br></div></div>