<div dir="ltr"><div class="gmail_default" style="font-size:large">Thank you Prof. Marks</div><div class="gmail_default" style="font-size:large">I forgot to use the way you suggested.</div><div class="gmail_default" style="font-size:large">I was using export for icc and ifort.</div><div class="gmail_default" style="font-size:large">Now I could install FFTW-3.3.8.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Thank you very much.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Regards</div><div class="gmail_default" style="font-size:large">Bhamu<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Nov 1, 2020 at 12:36 AM Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</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 dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">The errors you see are not relevant.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">FFTW installation is really not for this list. It appears that you have an inadequate/corrupt OS, probably you did not install all the gcc files. That said, below is the script that I use to compile with ifort/icc (I do not recommend using gcc); you will need to edit the mpi library for your system and perhaps change the -ax flag and also the installation location:</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">CC=icc<br>MPICC=mpiicc<br>FFLAGS="-O2 -axCORE-AVX512 -prec_div -r8 -pc80 -fpconstant -traceback -no-complex-limited-range -no-fast-transcendentals -fminshared \<br>-L/opt/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib -prec-sqrt -pad -mieee-fp -no-ftz -fimf-precision=high \<br>"<br>CFLAGS="-O2 -axCORE-AVX512 -pc80 -traceback -no-complex-limited-range -prec-sqrt -no-fast-transcendentals -fminshared -mieee-fp \<br>-fimf-precision=high -no-ftz -prec-sqrt -L/opt/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib"<br>F77=ifort<br><br>export MPICC FFLAGS CFLAGS CC F77 <br>./configure --prefix=/opt/fftw-3.3.8 --enable-mpi --enable-threads<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Oct 31, 2020 at 10:28 AM Dr. K. C. Bhamu <<a href="mailto:kcbhamu85@gmail.com" target="_blank">kcbhamu85@gmail.com</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 dir="ltr"><div class="gmail_default" style="font-size:large">Dear Wien2k Users</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">I’m sorry to bother you in the weekend.<br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">I faced some issues while installing Wien2k_19.2 on Ubuntu-20.04 with the mkl cluster version 2019.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><b><span style="color:rgb(255,0,255)">Issue-1:</span></b></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Without FFTW3 I could compile it but see below warning<br></div><div class="gmail_default" style="font-size:large"></div><div class="gmail_default" style="font-size:large"><ul><li><span style="color:rgb(0,0,255)"><b>ifort: warning #10315: specifying -lm before files may supersede the Intel(R) math library and affect performance</b></span></li></ul><div><b>One solution was already provided by Gavin for my previous post for Wien2k_18 version.</b></div><div><b><br></b></div><div><a href="https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17807.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!ADnT3eMa6f6mLpkUHqYGLJofpVwR4_nHBglkWE_zmvZX2kbf43AQicDAN1WVRhyU9eqf0A$" target="_blank"><b>https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17807.html</b></a></div><div><br></div><div><b>I am wondering if this warning can be traced in the coming updated versions.</b><br></div><ul><li><span style="color:rgb(0,0,255)"><b>cp: -r not specified; omitting directory 'SRC_BerryPI/BerryPI'<br></b></span></li></ul></div><div class="gmail_default" style="font-size:large"><b><span style="color:rgb(255,0,255)">Issue-2:</span></b></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><ul><li>I am wondering if there is a way to compile Wien2k using the MKL version of FFTW.</li></ul></div><div class="gmail_default" style="font-size:large">I have defined the FFTW3 path of mkl but I met an error with a message "ld: cannot find -lfftw3'</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><span style="color:rgb(255,0,255)"><b>Issue-3:</b></span><br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Then I tried to install FFTW-3.3.8.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">But I could not manage to install FFTW-3.3.8. The error message is mentioned below:<br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><span style="color:rgb(0,0,255)"><b>FFTW-3.3.8 error while executing ./configure</b></span></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">checking sys/time.h usability... no<br>checking sys/time.h presence... yes<br>configure: WARNING: sys/time.h: present but cannot be compiled<br>configure: WARNING: sys/time.h: check for missing prerequisite headers?<br>configure: WARNING: sys/time.h: see the Autoconf documentation<br>configure: WARNING: sys/time.h: section "Present But Cannot Be Compiled"<br>configure: WARNING: sys/time.h: proceeding with the compiler's result<br>configure: WARNING: ## ---------------------------- ##<br>configure: WARNING: ## Report this to <a href="mailto:fftw@fftw.org" target="_blank">fftw@fftw.org</a> ##<br>configure: WARNING: ## ---------------------------- ##<br>checking for sys/time.h... no<br>checking altivec.h usability... no<br>checking altivec.h presence... no<br>checking for altivec.h... no<br>checking for an ANSI C-conforming const... yes<br>checking for inline... inline<br>checking for size_t... no<br>checking for uint32_t... no<br>checking for uint64_t... no<br>checking whether time.h and sys/time.h may both be included... no<br>checking for long double... no<br>checking for hrtime_t... no<br>checking size of int... 0<br>checking size of unsigned int... 0<br>checking size of long... 0<br>checking size of unsigned long... 0<br>checking size of long long... 0<br>checking size of unsigned long long... 0<br>checking size of size_t... 0<br>checking size of ptrdiff_t... 0<br>checking for ptrdiff_t... no<br>checking for uintptr_t... no<br>checking size of void *... 0<br>checking size of float... 0<br>checking size of double... 0<br>checking size of fftw_r2r_kind... 0<br>configure: error: sizeof(fftw_r2r_kind) test failed</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Looking forward to hearing from you.<br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Thank you very much</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Regards</div><div class="gmail_default" style="font-size:large">bhamu<br></div><div class="gmail_default" style="font-size:large"><br></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!ADnT3eMa6f6mLpkUHqYGLJofpVwR4_nHBglkWE_zmvZX2kbf43AQicDAN1WVRhw11Kt3Gw$" rel="noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!ADnT3eMa6f6mLpkUHqYGLJofpVwR4_nHBglkWE_zmvZX2kbf43AQicDAN1WVRhw11Kt3Gw$</a> <br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!ADnT3eMa6f6mLpkUHqYGLJofpVwR4_nHBglkWE_zmvZX2kbf43AQicDAN1WVRhzsyOTxiw$" rel="noreferrer" target="_blank">https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!ADnT3eMa6f6mLpkUHqYGLJofpVwR4_nHBglkWE_zmvZX2kbf43AQicDAN1WVRhzsyOTxiw$</a> <br>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div>