[Pw_forum] #error: can't find include file: fftw3.f in QE 6.0
Dear QE community I am trying to compile QE 6.0 and probably I am the only one who still gets this error on FFTXlib test -d bin || mkdir bin ( cd FFTXlib ; make TLDEPS= all || exit 1 ) make[1]: Entering directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW3 -D__MPI -D__SCALAPACK -I/home/fiori/CODES/QE/qe-6.0//include -I../include/ -c fft_scalar.f90 fft_scalar.FFTW3.f90(40): #error: can't find include file: fftw3.f make[1]: *** [fft_scalar.o] Error 1 make[1]: Leaving directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' make: *** [libfft] Error 1 I am using Intel fortran 15 and opempi 1.8.4 and mkl from intel studio version 15 again. I attach my config.log...since I cannot find the error neither the solution. Any suggestion? (except hands imposition, of course..) Have a nice day and thanks. Federico Federico IORI Marie Curie Fellow Laboratoire de Physique des Solides Bâtiment 510 - Rue André Rivière 91400 Orsay This file contains any messages produced by compilers while running configure, to aid debugging if configure makes a mistake. It was created by ESPRESSO configure 6.0-beta, which was generated by GNU Autoconf 2.63. Invocation command line was $ ./install/configure ## - ## ## Platform. ## ## - ## hostname = orlando.lps.u-psud.fr uname -m = x86_64 uname -r = 2.6.32-431.11.2.el6.x86_64 uname -s = Linux uname -v = #1 SMP Tue Mar 25 19:59:55 UTC 2014 /usr/bin/uname -p = unknown /bin/uname -X = unknown /bin/arch = x86_64 /usr/bin/arch -k = unknown /usr/convex/getsysinfo = unknown /usr/bin/hostinfo = unknown /bin/machine = unknown /usr/bin/oslevel = unknown /bin/universe = unknown PATH: /share/apps/openmpi/bin PATH: /home/fiori/CODES/vasp_util/vtstscripts-915 PATH: /share/apps/intel/composer_xe_2015.0.090/bin/intel64 PATH: /share/apps/intel/composer_xe_2015.0.090/mpirt/bin/intel64 PATH: /share/apps/intel/composer_xe_2015.0.090/debugger/gdb/intel64_mic/bin PATH: /opt/openmpi/bin PATH: /usr/lib64/qt-3.3/bin PATH: /usr/local/bin PATH: /bin PATH: /usr/bin PATH: /usr/local/sbin PATH: /usr/sbin PATH: /sbin PATH: /opt/bio/ncbi/bin PATH: /opt/bio/mpiblast/bin PATH: /opt/bio/EMBOSS/bin PATH: /opt/bio/clustalw/bin PATH: /opt/bio/tcoffee/bin PATH: /opt/bio/hmmer/bin PATH: /opt/bio/phylip/exe PATH: /opt/bio/mrbayes PATH: /opt/bio/fasta PATH: /opt/bio/glimmer/bin PATH: /opt/bio/glimmer/scripts PATH: /opt/bio/gromacs/bin PATH: /opt/bio/gmap/bin PATH: /opt/bio/tigr/bin PATH: /opt/bio/autodocksuite/bin PATH: /opt/bio/wgs/bin PATH: /opt/eclipse PATH: /opt/ganglia/bin PATH: /opt/ganglia/sbin PATH: /usr/java/latest/bin PATH: /opt/maven/bin PATH: /opt/pdsh/bin PATH: /opt/rocks/bin PATH: /opt/rocks/sbin PATH: /opt/condor/bin PATH: /opt/condor/sbin PATH: /opt/gridengine/bin/linux-x64 PATH: /home/fiori/bin ## --- ## ## Core tests. ## ## --- ## configure:1985: checking build system type configure:2003: result: x86_64-pc-linux-gnu configure:2029: checking ARCH configure:2077: result: x86_64 configure:2099: checking setting AR... configure:2105: result: ar configure:2109: checking setting ARFLAGS... configure:2124: result: ruv configure:2310: checking for ifort configure:2326: found /share/apps/intel/composer_xe_2015.0.090/bin/intel64/ifort configure:2337: result: ifort configure:2363: checking for Fortran compiler version configure:2371: ifort --version >&5 ifort (IFORT) 15.0.0 20140723 Copyright (C) 1985-2014 Intel Corporation. All rights reserved. configure:2375: $? = 0 configure:2382: ifort -v >&5 ifort version 15.0.0 configure:2386: $? = 0 configure:2393: ifort -V >&5 Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 15.0.0.090 Build 20140723 Copyright (C) 1985-2014 Intel Corporation. All rights reserved. configure:2397: $? = 0 configure:2411: checking for Fortran compiler default output file name configure:2433: ifortconftest.f >&5 configure:2437: $? = 0 configure:2475: result: a.out configure:2494: checking whether the Fortran compiler works configure:2504: ./a.out configure:2508: $? = 0 configure:2527: result: yes configure:2534: checking whether we are cross compiling configure:2536: result: no configure:2539: checking for suffix of executables configure:2546: ifort -o conftestconftest.f >&5 configure:2550: $? = 0 configure:2576: result: configure:2582: checking for suffix of object files configure:2598: ifort -c conftest.f >&5 configure:2602: $? = 0 configure:2627: result: o configure:2635: checking whether we are using the GNU Fortran compiler configure:2654: ifort -c conftest.F >&5 conftest.F(3): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: ( % [ : . = => choke me ---^ conftest.F(3): error #6218: This statement is positioned incorrectly and/or has syntax errors. choke me ---^ compilation
Re: [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0
Dear Federico Did you try with the internal FFTW? They should provide something running, and it might turn out that they are not slower than fftw3... HTH Giuseppe On Thursday, November 17, 2016 01:05:42 PM Federico Iori wrote: > Dear QE community > > I am trying to compile QE 6.0 and probably I am the only one who still gets > this error on FFTXlib > > test -d bin || mkdir bin > ( cd FFTXlib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' > mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW3 > -D__MPI -D__SCALAPACK -I/home/fiori/CODES/QE/qe-6.0//include > -I../include/ -c fft_scalar.f90 fft_scalar.FFTW3.f90(40): #error: can't find > include file: fftw3.f > make[1]: *** [fft_scalar.o] Error 1 > make[1]: Leaving directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' > make: *** [libfft] Error 1 > > > I am using Intel fortran 15 and opempi 1.8.4 and mkl from intel studio > version 15 again. > > I attach my config.log...since I cannot find the error neither the solution. > > Any suggestion? (except hands imposition, of course..) > > Have a nice day and thanks. > > Federico > > > > Federico IORI > Marie Curie Fellow > Laboratoire de Physique des Solides > Bâtiment 510 - Rue André Rivière > 91400 Orsay - Article premier - Les hommes naissent et demeurent libres et égaux en droits. Les distinctions sociales ne peuvent être fondées que sur l'utilité commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la liberté, la propriété, la sûreté et la résistance à l'oppression. Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM), Italy Tel + 39 06 90672342 - Fax +39 06 90672316 E-mail: http://www.ism.cnr.it/en/staff/giuseppe-mattioli/ ResearcherID: F-6308-2012 ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0
If you use FFTW3 from MKL, "configure" expects that the environment variable $MKLROOT is properly defined. There is a script provided with MKL that does that. Paolo On Thu, Nov 17, 2016 at 1:05 PM, Federico Iori wrote: > Dear QE community > > I am trying to compile QE 6.0 and probably I am the only one who still > gets this error on FFTXlib > > test -d bin || mkdir bin > ( cd FFTXlib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' > mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL > -D__FFTW3 -D__MPI -D__SCALAPACK -I/home/fiori/CODES/QE/qe-6.0//include > -I../include/ -c fft_scalar.f90 > fft_scalar.FFTW3.f90(40): #error: can't find include file: fftw3.f > make[1]: *** [fft_scalar.o] Error 1 > make[1]: Leaving directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' > make: *** [libfft] Error 1 > > > I am using Intel fortran 15 and opempi 1.8.4 and mkl from intel studio > version 15 again. > > I attach my config.log...since I cannot find the error neither the > solution. > > Any suggestion? (except hands imposition, of course..) > > Have a nice day and thanks. > > Federico > > > [image: Université Paris-Sud] > *Federico IORI* > Marie Curie Fellow > Laboratoire de Physique des Solides > Bâtiment 510 - Rue André Rivière > 91400 Orsay > > > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0
Grazie Giuseppe: now with internal FFTW now it compiled. Grazie Paolo as well for the tip: I will try as well to compile with the proper $MKLROOT variable well defined. :) Thanks again. ff Federico IORI Marie Curie Fellow Laboratoire de Physique des Solides Bâtiment 510 - Rue André Rivière 91400 Orsay - Mensaje original - De: "Paolo Giannozzi" Para: "PWSCF Forum" Enviados: Jueves, 17 de Noviembre 2016 14:37:43 Asunto: Re: [Pw_forum] #error: can't find include file: fftw3.f in QE 6.0 If you use FFTW3 from MKL, "configure" expects that the environment variable $MKLROOT is properly defined. There is a script provided with MKL that does that. Paolo On Thu, Nov 17, 2016 at 1:05 PM, Federico Iori < federico.i...@u-psud.fr > wrote: Dear QE community I am trying to compile QE 6.0 and probably I am the only one who still gets this error on FFTXlib test -d bin || mkdir bin ( cd FFTXlib ; make TLDEPS= all || exit 1 ) make[1]: Entering directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW3 -D__MPI -D__SCALAPACK -I/home/fiori/CODES/QE/qe-6.0//include -I../include/ -c fft_scalar.f90 fft_scalar.FFTW3.f90(40): #error: can't find include file: fftw3.f make[1]: *** [fft_scalar.o] Error 1 make[1]: Leaving directory `/home/fiori/CODES/QE/qe-6.0/FFTXlib' make: *** [libfft] Error 1 I am using Intel fortran 15 and opempi 1.8.4 and mkl from intel studio version 15 again. I attach my config.log...since I cannot find the error neither the solution. Any suggestion? (except hands imposition, of course..) Have a nice day and thanks. Federico Federico IORI Marie Curie Fellow Laboratoire de Physique des Solides Bâtiment 510 - Rue André Rivière 91400 Orsay ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
