<div dir="ltr"><div class="gmail_default" style="font-family:monospace,monospace">After some small changes, I was able to go further:</div><div class="gmail_default" style="font-family:monospace,monospace">(sorry for the long output)</div><div class="gmail_default" style="font-family:monospace,monospace">----------------------------------------------------------</div><div class="gmail_default" style="font-family:monospace,monospace"><br></div><div class="gmail_default" style="font-family:monospace,monospace"><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" /home/user/cp2k-4.1/src/pilaenv_hack.F</div><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" /home/user/cp2k-4.1/src/semi_empirical_int_debug.F</div><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"ewalds_multipole_debug.F\"" /home/user/cp2k-4.1/src/ewalds_multipole_debug.F</div><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"mao_types.F\"" /home/user/cp2k-4.1/src/mao_types.F</div><div class="gmail_default">gcc -c /home/user/cp2k-4.1/src/sockets.c</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2keri_mme.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2keri_mme.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kminimax.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kminimax.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2khfxbase.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2khfxbase.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2ksubsys.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2ksubsys.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a</div><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" /home/user/cp2k-4.1/src/aobasis/ai_eri_debug.F</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kao.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kao.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kinput.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kinput.a</div><div class="gmail_default">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -D__SHORT_FILE__="\"pw/cp_linked_list_rs.F\"" /home/user/cp2k-4.1/src/pw/cp_linked_list_rs.F</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kpw.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kpw.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfft.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfft.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsrwrap.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsrwrap.a</div><div class="gmail_default">Updating archive /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a</div><div class="gmail_default">ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a</div><div class="gmail_default">mpif90 -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -I/usr/include -I/usr/include/elpa/modules -fPIC -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"sáb set 23 00:53:13 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\"" -L/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt -o /home/user/cp2k-4.1/exe/Linux-x86_64-gfortran/cp2k.popt cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsrwrap -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kgrid -lcp2kbase /usr/lib/libscalapack-openmpi.a /usr/lib/x86_64-linux-gnu/libfftw3.a /usr/lib/x86_64-linux-gnu/libxcf90.a /usr/lib/x86_64-linux-gnu/libxc.a /usr/lib/libderiv.a /usr/lib/libint.a -lelpa -lblas -llapack -lrt</div><div class="gmail_default">/usr/bin/ld: Warning: size of symbol `build_deriv1_eri' changed from 10368 in /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a(hfx_libint_wrapper.o) to 5000 in /usr/lib/libderiv.a(init_libderiv.o)</div><div class="gmail_default">/usr/bin/ld: Warning: size of symbol `build_eri' changed from 19208 in /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a(hfx_libint_wrapper.o) to 10368 in /usr/lib/libint.a(init_libint.o)</div><div class="gmail_default">/usr/bin/ld: /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a(sockets.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxcf90.a(libxcf90_la-xc_f.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(functionals.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(version.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_x.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_x_1d.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_hl.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_vwn.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_pz.o): relocation R_X86_64_32S against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_pw.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_ml1.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_xc_teter93.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_1d_csc.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_2d_amgb.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_c_2d_prm.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(lda_xc_ksdt.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_pbe.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_rpbe.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_b86.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_b88.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_pw86.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_pw91.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_optx.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_airy.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_dk87.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_kt.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_pbe.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_lyp.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_wi.o): relocation R_X86_64_32S against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_lb.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_b97.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_edf1.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_1w.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_sogga11.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_sogga11.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_th.o): relocation R_X86_64_32S against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_wpbeh.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_hjs.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_ityh.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_sfat.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_ssb_sw.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_ft97.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_c_op.o): relocation R_X86_64_32S against symbol `xc_gga_x_pw91_enhance' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_n12.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_2d_b88.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_k_tflw.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_k_ol2.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_k_dk.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_vmt.o): relocation R_X86_64_32 against `.rodata.str1.1' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_x_cap.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_oblyp_d.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_b3lyp.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_o3lyp.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_pbeh.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_b1wc.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_hse.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_cam_b3lyp.o): relocation R_X86_64_32 against `.bss' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_camy_blyp.o): relocation R_X86_64_32 against `.bss' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_camy_b3lyp.o): relocation R_X86_64_32 against `.bss' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_lcy_pbe.o): relocation R_X86_64_32 against `.bss' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_lcy_blyp.o): relocation R_X86_64_32 against `.bss' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(gga_xc_vv10.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_gga_xc_edf2.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_tpss.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_br89.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_gvt4.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_m06l.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_2d_prhg07.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_m05.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_m08.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_ms.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_mn12.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_mk00.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_vsxc.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_pkzb.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_bc95.o): relocation R_X86_64_32 against symbol `xc_lda_c_pw_func' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_m08.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_cc06.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_xc_otpss_d.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_mgga_xc_m05.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_mbeef.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_xc_b97mv.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_x_scan.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(mgga_c_scan.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_mgga_xc_tpssh.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(hyb_mgga_x_mvsh.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(special_functions.o): relocation R_X86_64_32 against `.rodata.str1.8' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(bessel.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(expint_e1.o): relocation R_X86_64_32 against `.data' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(integrate.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(util.o): relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: /usr/lib/x86_64-linux-gnu/libxc.a(stoll.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC</div><div class="gmail_default">/usr/bin/ld: final link failed: Nonrepresentable section on output</div><div class="gmail_default">collect2: error: ld returned 1 exit status</div><div class="gmail_default">/home/user/cp2k-4.1/obj/Linux-x86_64-gfortran/popt/all.dep:125: recipe for target '/home/user/cp2k-4.1/exe/Linux-x86_64-gfortran/cp2k.popt' failed</div><div class="gmail_default">make[5]: *** [/home/user/cp2k-4.1/exe/Linux-x86_64-gfortran/cp2k.popt] Error 1</div><div class="gmail_default">/home/user/cp2k-4.1/makefiles/Makefile:128: recipe for target 'all' failed</div><div class="gmail_default">make[4]: *** [all] Error 2</div><div class="gmail_default">/home/user/cp2k-4.1/makefiles/Makefile:117: recipe for target 'popt' failed</div><div class="gmail_default">make[3]: *** [popt] Error 2</div><div class="gmail_default">Makefile:112: recipe for target 'all' failed</div><div class="gmail_default">make[2]: *** [all] Error 2</div><div class="gmail_default">make[2]: Leaving directory '/home/user/cp2k-4.1/makefiles'</div><div class="gmail_default">debian/rules:38: recipe for target 'override_dh_auto_build' failed</div><div class="gmail_default">make[1]: *** [override_dh_auto_build] Error 2</div><div class="gmail_default">make[1]: Leaving directory '/home/user/cp2k-4.1'</div><div class="gmail_default">debian/rules:25: recipe for target 'build' failed</div><div class="gmail_default">make: *** [build] Error 2</div></div><div class="gmail_default" style="font-family:monospace,monospace"><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Sep 22, 2017 at 10:11 PM, Henrique Junior <span dir="ltr"><<a href="mailto:henri...@gmail.com" target="_blank">henri...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><p class="MsoNormal">Dear friends, I’m trying to build CP2K 4.1 in an Ubuntu 17.04 machine (with CUDA). But, at first, trying to build even without CUDA I’m getting a persistent error.<u></u><u></u></p> <p class="MsoNormal">First, my Ubuntu is using all default packages (libxc 3, openmpi 2.0.2, kernel 4.10.0). I have downgraded GCC to 4.9 because CP2K was complaining about a GCC >= 5 and I believe that I’m not missing any building dependency.<u></u><u></u></p> <p class="MsoNormal">So, When I try to use my makefile to build a no-CUDA CP2K I’m getting this error at some point:<u></u><u></u></p><p class="MsoNormal"><br></p> <p class="MsoNormal">------------------------SNIP--<wbr>------------------------------<wbr>------------------------------<wbr>--------<u></u><u></u></p><p class="MsoNormal"><br></p> <p class="MsoNormal">mpif90 -c -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3 -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -D__COMPILE_ARCH="\"Linux-x86_<wbr>64-gfortran\"" -D__COMPILE_DATE="\"sex set 22 21:17:27 -03 2017\"" -D__COMPILE_HOST="\"europio\"" -D__COMPILE_REVISION="\"svn:<wbr>17462\"" -D__DATA_DIR="\"/home/user/<wbr>cp2k-4.1/data\"" -D__SHORT_FILE__="\"xc/xc_<wbr>libxc_wrap.F\"" /home/user/cp2k-4.1/src/xc/xc_<wbr>libxc_wrap.F<u></u><u></u></p> <p class="MsoNormal">/home/user/cp2k-4.1/src/xc/xc_<wbr>libxc_wrap.F:77:6:<u></u><u></u></p> <p class="MsoNormal"><u></u> <u></u></p> <p class="MsoNormal"> USE libxc_funcs_m, <wbr> ONLY: XC_LDA_X,&<u></u><u></u></p> <p class="MsoNormal"> 1<u></u><u></u></p> <p class="MsoNormal">Fatal Error: Can't open module file ‘libxc_funcs_m.mod’ for reading at (1): Arquivo ou diretório não encontrado<u></u><u></u></p> <p class="MsoNormal">compilation terminated.<u></u><u></u></p> <p class="MsoNormal">/home/user/cp2k-4.1/makefiles/<wbr>Makefile:447: recipe for target 'xc_libxc_wrap.o' failed<u></u><u></u></p> <p class="MsoNormal">make[5]: *** [xc_libxc_wrap.o] Error 1<u></u><u></u></p> <p class="MsoNormal">/home/user/cp2k-4.1/makefiles/<wbr>Makefile:128: recipe for target 'all' failed<u></u><u></u></p> <p class="MsoNormal">make[4]: *** [all] Error 2<u></u><u></u></p> <p class="MsoNormal">/home/user/cp2k-4.1/makefiles/<wbr>Makefile:117: recipe for target 'popt' failed<u></u><u></u></p> <p class="MsoNormal">make[3]: *** [popt] Error 2<u></u><u></u></p> <p class="MsoNormal">Makefile:112: recipe for target 'all' failed<u></u><u></u></p> <p class="MsoNormal">make[2]: *** [all] Error 2<u></u><u></u></p> <p class="MsoNormal">make[2]: Leaving directory '/home/user/cp2k-4.1/<wbr>makefiles'<u></u><u></u></p> <p class="MsoNormal">debian/rules:38: recipe for target 'override_dh_auto_build' failed<u></u><u></u></p> <p class="MsoNormal">make[1]: *** [override_dh_auto_build] Error 2<u></u><u></u></p> <p class="MsoNormal">make[1]: Leaving directory '/home/user/cp2k-4.1'<u></u><u></u></p> <p class="MsoNormal">debian/rules:25: recipe for target 'build' failed<u></u><u></u></p> <p class="MsoNormal">make: *** [build] Error 2<u></u><u></u></p> <p class="MsoNormal">------------------------------<wbr>------------------------------<wbr>--------------------------<u></u><u></u></p><p class="MsoNormal"><br></p> <p class="MsoNormal">The “missing” file exists in /usr/include/libxc_funcs_m.mod<u></u><u></u></p> <p class="MsoNormal">What is the problem?<u></u><u></u></p> <p class="MsoNormal"><u></u> <u></u></p> <p class="MsoNormal">---------------MAKEFILE POPT--------------------------<wbr>---------<u></u><u></u></p> <p class="MsoNormal">(Commented you can see the flags I’m going to use for CUDA, does it looks OK?)<u></u><u></u></p> <p class="MsoNormal">CC = gcc<u></u><u></u></p> <p class="MsoNormal">CPP =<u></u><u></u></p> <p class="MsoNormal">FC = mpif90<u></u><u></u></p> <p class="MsoNormal">LD = mpif90<u></u><u></u></p> <p class="MsoNormal"><span lang="PT-BR">AR = ar -r<u></u><u></u></span></p> <p class="MsoNormal"><span lang="PT-BR">FFTW_INC = /usr/include<u></u><u></u></span></p> <p class="MsoNormal">FFTW_LIB = /usr/lib/x86_64-linux-gnu<u></u><u></u></p> <p class="MsoNormal">LIBINT_INC = /usr/include<u></u><u></u></p> <p class="MsoNormal">LIBINT_LIB = /usr/lib<u></u><u></u></p> <p class="MsoNormal">LIBXC_INC = /usr/include<u></u><u></u></p> <p class="MsoNormal"><span lang="PT-BR">LIBXC_LIB = /usr/lib/x86_64-linux-gnu/<u></u><u></u></span></p> <p class="MsoNormal">#CUDAPATH = /usr/local/cuda-8.0/targets/<wbr>x86_64-linux/lib/<u></u><u></u></p> <p class="MsoNormal"><u></u> <u></u></p> <p class="MsoNormal">DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3\<u></u><u></u></p> <p class="MsoNormal"> -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\<u></u><u></u></p> <p class="MsoNormal"># -D__ACC -D__DBCSR_ACC\<u></u><u></u></p> <p class="MsoNormal"> -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3<u></u><u></u></p> <p class="MsoNormal">CPPFLAGS =<u></u><u></u></p> <p class="MsoNormal">FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\<u></u><u></u></p> <p class="MsoNormal"> -ftree-vectorize -funroll-loops\<u></u><u></u></p> <p class="MsoNormal"> -mtune=native<u></u><u></u></p> <p class="MsoNormal">LDFLAGS = $(FCFLAGS) -static-libgfortran<u></u><u></u></p> <p class="MsoNormal">LIBS = $(LIBINT_LIB)/libscalapack-<wbr>openmpi.a\<u></u><u></u></p> <p class="MsoNormal"> $(FFTW_LIB)/libfftw3.a\<u></u><u></u></p> <p class="MsoNormal"> $(LIBXC_LIB)/libxcf90.a\<u></u><u></u></p> <p class="MsoNormal"> $(LIBXC_LIB)/libxc.a\<u></u><u></u></p> <p class="MsoNormal"> $(LIBINT_LIB)/libderiv.a\<u></u><u></u></p> <p class="MsoNormal"> $(LIBINT_LIB)/libint.a\<u></u><u></u></p> <p class="MsoNormal"># -lcudart -lcublas -lcufft<u></u><u></u></p> <p class="MsoNormal"> -lelpa -lblas -llapack -lrt<u></u><u></u></p> <p class="MsoNormal"><u></u> <u></u></p> <p class="MsoNormal">#NVFLAGS = $(DFLAGS) -O3 -arch sm_35<u></u><u></u></p> <p class="MsoNormal"><span lang="PT-BR">#NVCC = /usr/local/cuda-8.0/bin/nvcc<span class="HOEnZb"><font color="#888888"><u></u><u></u></font></span></span></p><span class="HOEnZb"><font color="#888888"> <p class="MsoNormal"><span lang="PT-BR"> </span></p></font></span></div><span class="HOEnZb"><font color="#888888"> <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:cp2k+uns...@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.<wbr>com</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank">https://groups.google.com/<wbr>group/cp2k</a>.<br> For more options, visit <a href="https://groups.google.com/d/optout" target="_blank">https://groups.google.com/d/<wbr>optout</a>.<br> </font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><span style="color:rgb(139,139,139)"><font face="monospace, monospace"><b><font color="#808080">Henrique C. S. Junior</font></b><br>Industrial Chemist - UFRRJ</font></span></div><div dir="ltr"><span style="color:rgb(139,139,139)"><font face="monospace, monospace">M. Sc. Inorganic Chemistry - UFRRJ<br>Data Processing Center - PMP</font><br></span></div></div><div><span style="color:rgb(139,139,139)"><font face="monospace, monospace">Visite o <a href="http://mundoquimico.com.br" target="_blank">Mundo Químico</a></font></span></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div> </div>