<div dir="ltr">Hi there<div><br></div><div>I'm trying to compile CP2K at my university's cluster. I've decided to start by building all the dependencies using the toolchain provided in cp2k 7.1 using </div><div><div class="prettyprint" style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;"><code class="prettyprint"><div class="subprettyprint"><font color="#660066"><span style="color: #000;" class="styled-by-prettify"> </span><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">install</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">all </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">openmpi</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">system</span></font><span style="color: #000;" class="styled-by-prettify"><br></span></div></code></div><br></div><div>the installation end quickly with the error </div><div><div class="prettyprint" style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;"><code class="prettyprint"><div class="subprettyprint"><div class="subprettyprint">Installing from scratch into /scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/SpFFT-0.9.8</div><div class="subprettyprint">ERROR: (./scripts/install_spfft.sh, line 40) Non-zero exit code detected.</div></div></code></div><br>I went to the ~/build/SpFFT-0.9.8/build-cpu/ and found the attached error and .log files. It shows this</div><div><div class="prettyprint" style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;"><code class="prettyprint"><div class="subprettyprint"><div class="subprettyprint">Make Error at /scratch_p/cbornes/cp2k-7.1/tools/toolchain/install/cmake-3.15.1/share/cmake-3.15/Modules/FindPackageHandleStandardArgs.cmake:137 (message):</div><div class="subprettyprint">  Could NOT find MPI (missing: MPI_CXX_FOUND)</div></div></code></div><div><br></div>I'm not sure how to solve this problem MPI is installed and in my PATH so it should be available right?</div><div><br></div><div>Thank you</div><div>Carlos<br> </div><div><br></div></div>