<div dir="ltr">Hi Matthias<div>I tried to compile cp2k-7.1 in cygwin with the edited arch file, but got an error. </div><div>pl find attached arch file and error screenshot. </div><div>Thank you for help</div><div><img src="cid:ii_kgs7xkmb1" alt="image.png" width="517" height="166"><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, 27 Oct 2020 at 14:20, Krack Matthias (PSI) <<a href="mailto:matthi...@psi.ch" target="_blank">matthi...@psi.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"> <div lang="EN-US"> <div> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">Hi<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">The arch file does not include the flag –D__FFTW and thus that lib is not available. Just use the default FFT lib FFTSG which is part of the CP2K code.<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">You may select the FFTSG as the preferred FFT lib (see <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#PREFERRED_FFT_LIBRARY" target="_blank"> https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#PREFERRED_FFT_LIBRARY</a>) to get rid of the warning.<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">Matthias<u></u><u></u></span></p> <p class="MsoNormal"><span lang="DE" style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"><u></u> <u></u></span></p> <p class="MsoNormal"><b><span style="font-size:11pt;font-family:Calibri,sans-serif">From:</span></b><span style="font-size:11pt;font-family:Calibri,sans-serif"> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>> <b>On Behalf Of </b>vasanth kumar<br> <b>Sent:</b> Dienstag, 27. Oktober 2020 09:39<br> <b>To:</b> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br> <b>Subject:</b> Re: [CP2K:14118] FFT library FFTW3 is not available ....<u></u><u></u></span></p> <p class="MsoNormal"><u></u> <u></u></p> <div> <p class="MsoNormal">hi Matthias<u></u><u></u></p> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> <div> <p class="MsoNormal">tq for reply. I installed cp2k via cygwin on windows pc .<u></u><u></u></p> </div> <div> <p class="MsoNormal">I am seeing a file as libcp2kfft in the lib folder.<u></u><u></u></p> </div> <div> <p class="MsoNormal">I used an arch file to compile the cp2k. arch file is attached to your reference. <u></u><u></u></p> </div> <div> <p class="MsoNormal">Thank you for help<u></u><u></u></p> </div> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> </div> <p class="MsoNormal"><u></u> <u></u></p> <div> <div> <p class="MsoNormal">On Tue, 27 Oct 2020 at 13:24, Krack Matthias (PSI) <<a href="mailto:matthi...@psi.ch" target="_blank">matthi...@psi.ch</a>> wrote:<u></u><u></u></p> </div> <blockquote style="border-top:none;border-right:none;border-bottom:none;border-left:1pt solid rgb(204,204,204);padding:0cm 0cm 0cm 6pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">Hi</span><u></u><u></u></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"> </span><u></u><u></u></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">It seems your CP2K executable does not include the FFTW library. Check, if your CP2K executable was compiled with the –D__FFTW flag.</span><u></u><u></u></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"> </span><u></u><u></u></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)">Matthias</span><u></u><u></u></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Calibri,sans-serif;color:rgb(31,73,125)"> </span><u></u><u></u></p> <p class="MsoNormal"><b><span style="font-size:11pt;font-family:Calibri,sans-serif">From:</span></b><span style="font-size:11pt;font-family:Calibri,sans-serif"> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>> <b>On Behalf Of </b>vasanth kumar<br> <b>Sent:</b> Dienstag, 27. Oktober 2020 06:01<br> <b>To:</b> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br> <b>Subject:</b> [CP2K:14116] FFT library FFTW3 is not available ....</span><u></u><u></u></p> <p class="MsoNormal"> <u></u><u></u></p> <div> <p class="MsoNormal"><br clear="all"> <u></u><u></u></p> <div> <p class="MsoNormal">Hi<u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">I tried to reproduce the one of the presentation given in <a href="https://www.archer2.ac.uk/training/courses/201013-cp2k/" target="_blank">https://www.archer2.ac.uk/training/courses/201013-cp2k/</a><u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">but It is ended with WARNING : FFT library FFTW3 is not available Trying FFTSG as a default<u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">pl find the inp and out files <u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">pl suggest the solution<u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">your help greatly appreciated<u></u><u></u></p> </div> <div> <p class="MsoNormal"> <u></u><u></u></p> </div> <div> <p class="MsoNormal">thank you<u></u><u></u></p> </div> <p class="MsoNormal">-- <u></u><u></u></p> <div> <div> <div> <p class="MsoNormal" style="margin-bottom:12pt">With Regards<u></u><u></u></p> </div> <div> <p class="MsoNormal">Dr. V. Vasantha Kumar<u></u><u></u></p> </div> <div> <p class="MsoNormal">Assoc. Prof. of Physics<u></u><u></u></p> </div> <div> <p class="MsoNormal">Vignan Institute of Technology and Science<u></u><u></u></p> </div> <div> <p class="MsoNormal">Hyderabad.<u></u><u></u></p> </div> <div> <p class="MsoNormal">Mob:9959363113<u></u><u></u></p> </div> </div> </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="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAJeL8MaM3Nv%3Doi6v-Kft-3ScDjmgMrJN3eYRW0gYqGyb7HQi2w%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/CAJeL8MaM3Nv%3Doi6v-Kft-3ScDjmgMrJN3eYRW0gYqGyb7HQi2w%40mail.gmail.com</a>.<u></u><u></u></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="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/c043eb7ecdc8455cbdd76ffcca1a8c10%40psi.ch?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/c043eb7ecdc8455cbdd76ffcca1a8c10%40psi.ch</a>.<u></u><u></u></p> </blockquote> </div> <p class="MsoNormal"><br clear="all"> <u></u><u></u></p> <div> <p class="MsoNormal"><u></u> <u></u></p> </div> <p class="MsoNormal">-- <u></u><u></u></p> <div> <div> <div> <p class="MsoNormal" style="margin-bottom:12pt">With Regards<u></u><u></u></p> </div> <div> <p class="MsoNormal">Dr. V. Vasantha Kumar<u></u><u></u></p> </div> <div> <p class="MsoNormal">Assoc. Prof. of Physics<u></u><u></u></p> </div> <div> <p class="MsoNormal">Vignan Institute of Technology and Science<u></u><u></u></p> </div> <div> <p class="MsoNormal">Hyderabad.<u></u><u></u></p> </div> <div> <p class="MsoNormal">Mob:9959363113<u></u><u></u></p> </div> </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="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAJeL8Ma%3D%2B-M9A7EZ6ua5aQqbOjix3iaQa7zH0pC41hqO-Ncnkw%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/CAJeL8Ma%3D%2B-M9A7EZ6ua5aQqbOjix3iaQa7zH0pC41hqO-Ncnkw%40mail.gmail.com</a>.<u></u><u></u></p> </div> </div> <p></p> -- <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="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/23d47679a17a4b5ea990de6bc23e948b%40psi.ch?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/23d47679a17a4b5ea990de6bc23e948b%40psi.ch</a>.<br> </blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div>With Regards<br><br></div><div>Dr. V. Vasantha Kumar<br></div><div>Assoc. Prof. of Physics<br></div><div>Vignan Institute of Technology and Science<br></div><div>Hyderabad.<br></div><div>Mob:9959363113<br></div></div></div>