<div dir="ltr"><div>Thank you! My PATH was set correctly, but the binary was named python3 and not python. I fixed the issue with a symlink and was able to get ~1hr into the compile. Then this:</div><div><br></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: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">src</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">environment</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">F</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">223</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"><br><br>  </span><span style="color: #066;" class="styled-by-prettify">223</span><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"> </span><span style="color: #800;" class="styled-by-prettify">#error</span><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">ffast</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">GCC</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">or</span><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">hfpN </span><span style="color: #660;" class="styled-by-prettify">(</span><span style="color: #000;" class="styled-by-prettify">N</span><span style="color: #660;" class="styled-by-prettify">></span><span style="color: #066;" class="styled-by-prettify">0</span><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">Cray</span><span style="color: #660;" class="styled-by-prettify">)</span><span style="color: #000;" class="styled-by-prettify"> can lead to wrong results </span><span style="color: #008;" class="styled-by-prettify">and</span><span style="color: #000;" class="styled-by-prettify"> numerical instabilities </span><span style="color: #008;" class="styled-by-prettify">and</span><span style="color: #000;" class="styled-by-prettify"> are therefore </span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify"> longer supported<br>      </span><span style="color: #660;" class="styled-by-prettify">|</span><span style="color: #000;" class="styled-by-prettify">  </span><span style="color: #066;" class="styled-by-prettify">1</span><span style="color: #660;" class="styled-by-prettify">~~~~</span><span style="color: #000;" class="styled-by-prettify"><br></span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #800;" class="styled-by-prettify">#error</span><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">ffast</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">GCC</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">or</span><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">hfpN </span><span style="color: #660;" class="styled-by-prettify">(</span><span style="color: #000;" class="styled-by-prettify">N</span><span style="color: #660;" class="styled-by-prettify">></span><span style="color: #066;" class="styled-by-prettify">0</span><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">Cray</span><span style="color: #660;" class="styled-by-prettify">)</span><span style="color: #000;" class="styled-by-prettify"> can lead to wrong results </span><span style="color: #008;" class="styled-by-prettify">and</span><span style="color: #000;" class="styled-by-prettify"> numerical instabilities </span><span style="color: #008;" class="styled-by-prettify">and</span><span style="color: #000;" class="styled-by-prettify"> are therefore </span><span style="color: #008;" class="styled-by-prettify">no</span><span style="color: #000;" class="styled-by-prettify"> longer supported<br>make</span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #066;" class="styled-by-prettify">3</span><span style="color: #660;" class="styled-by-prettify">]:</span><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"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">466</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> environment</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">o</span><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">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">1</span><span style="color: #000;" class="styled-by-prettify"><br>make</span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #660;" class="styled-by-prettify">]:</span><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"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">134</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: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #000;" class="styled-by-prettify"><br>make</span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #066;" class="styled-by-prettify">1</span><span style="color: #660;" class="styled-by-prettify">]:</span><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"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">123</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> sopt</span><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">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #000;" class="styled-by-prettify"><br>make</span><span style="color: #660;" class="styled-by-prettify">:</span><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"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">118</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: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #000;" class="styled-by-prettify"><br><br></span></div></code></div></div><div><br></div><div>should I be passing a different flag than --ffast-math?<br><br></div><br>On Monday, March 16, 2020 at 5:07:02 AM UTC-7, brhr wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div>Hello,</div></div></blockquote><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div>I think this error is caused because not python in cygwin is called but python in anaconda is when you execute make.</div><div>It is necessary to install python on cygwin. If installation is done, python2.x.exe and python3.x.exe should be in the<br>cygwin/bin directory.</div><div>If these executables exist properly, it may improve by editing the PATH specification of .bash_profile in ${HOME}(maybe cygwin/home/user) as adding 'bin' on anywhere of the left of '$PATH' such as follows:</div><div>export PATH=~/bin:/usr/local/sbin:/<wbr>usr/local/bin:/sbin:/usr/sbin:<wbr>/usr/bin:$PATH</div></div></blockquote><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div>Hopes this helps,</div></div></blockquote><div>   Aoyama Iwao </div></blockquote></div>