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