[CP2K:9476] "Missing" libxc_funcs_m.mod when compiling CP2K?

Henrique C. S. Junior henri... at gmail.com
Sat Sep 23 04:08:30 UTC 2017
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After some small changes, I was able to go further:
(sorry for the long output)
----------------------------------------------------------

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
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
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
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
gcc -c  /home/user/cp2k-4.1/src/sockets.c
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2keri_mme.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2keri_mme.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kminimax.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kminimax.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2khfxbase.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2khfxbase.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2ksubsys.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2ksubsys.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a
ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a
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
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kao.a
ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kao.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kinput.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kinput.a
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
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kpw.a
ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kpw.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfft.a
ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfft.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsrwrap.a
ar: creating
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsrwrap.a
Updating archive
/home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a
ar: creating /home/user/cp2k-4.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a
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
/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)
/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)
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/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
/usr/bin/ld: final link failed: Nonrepresentable section on output
collect2: error: ld returned 1 exit status
/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
make[5]: *** [/home/user/cp2k-4.1/exe/Linux-x86_64-gfortran/cp2k.popt]
Error 1
/home/user/cp2k-4.1/makefiles/Makefile:128: recipe for target 'all' failed
make[4]: *** [all] Error 2
/home/user/cp2k-4.1/makefiles/Makefile:117: recipe for target 'popt' failed
make[3]: *** [popt] Error 2
Makefile:112: recipe for target 'all' failed
make[2]: *** [all] Error 2
make[2]: Leaving directory '/home/user/cp2k-4.1/makefiles'
debian/rules:38: recipe for target 'override_dh_auto_build' failed
make[1]: *** [override_dh_auto_build] Error 2
make[1]: Leaving directory '/home/user/cp2k-4.1'
debian/rules:25: recipe for target 'build' failed
make: *** [build] Error 2


On Fri, Sep 22, 2017 at 10:11 PM, Henrique Junior <henri... at gmail.com>
wrote:

> 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.
>
> 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.
>
> So, When I try to use my makefile to build a no-CUDA CP2K I’m getting this
> error at some point:
>
>
> ------------------------SNIP--------------------------------
> --------------------------------------
>
>
> 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_64-gfortran\"" -D__COMPILE_DATE="\"sex set
> 22 21:17:27 -03 2017\"" -D__COMPILE_HOST="\"europio\""
> -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR="\"/home/user/cp2k-4.1/data\""
> -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" /home/user/cp2k-4.1/src/xc/xc_
> libxc_wrap.F
>
> /home/user/cp2k-4.1/src/xc/xc_libxc_wrap.F:77:6:
>
>
>
>    USE libxc_funcs_m,                   ONLY: XC_LDA_X,&
>
>       1
>
> Fatal Error: Can't open module file ‘libxc_funcs_m.mod’ for reading at
> (1): Arquivo ou diretório não encontrado
>
> compilation terminated.
>
> /home/user/cp2k-4.1/makefiles/Makefile:447: recipe for target
> 'xc_libxc_wrap.o' failed
>
> make[5]: *** [xc_libxc_wrap.o] Error 1
>
> /home/user/cp2k-4.1/makefiles/Makefile:128: recipe for target 'all' failed
>
> make[4]: *** [all] Error 2
>
> /home/user/cp2k-4.1/makefiles/Makefile:117: recipe for target 'popt'
> failed
>
> make[3]: *** [popt] Error 2
>
> Makefile:112: recipe for target 'all' failed
>
> make[2]: *** [all] Error 2
>
> make[2]: Leaving directory '/home/user/cp2k-4.1/makefiles'
>
> debian/rules:38: recipe for target 'override_dh_auto_build' failed
>
> make[1]: *** [override_dh_auto_build] Error 2
>
> make[1]: Leaving directory '/home/user/cp2k-4.1'
>
> debian/rules:25: recipe for target 'build' failed
>
> make: *** [build] Error 2
>
> ------------------------------------------------------------
> --------------------------
>
>
> The “missing” file exists in /usr/include/libxc_funcs_m.mod
>
> What is the problem?
>
>
>
> ---------------MAKEFILE POPT-----------------------------------
>
> (Commented you can see the flags I’m going to use for CUDA, does it looks
> OK?)
>
> CC         = gcc
>
> CPP        =
>
> FC         = mpif90
>
> LD         = mpif90
>
> AR         = ar -r
>
> FFTW_INC   = /usr/include
>
> FFTW_LIB   = /usr/lib/x86_64-linux-gnu
>
> LIBINT_INC = /usr/include
>
> LIBINT_LIB = /usr/lib
>
> LIBXC_INC  = /usr/include
>
> LIBXC_LIB  = /usr/lib/x86_64-linux-gnu/
>
> #CUDAPATH  = /usr/local/cuda-8.0/targets/x86_64-linux/lib/
>
>
>
> DFLAGS     = -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__ACC -D__DBCSR_ACC\
>
>              -D__parallel -D__SCALAPACK -D__BLACS -D__ELPA3
>
> CPPFLAGS   =
>
> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
>
>              -ftree-vectorize -funroll-loops\
>
>              -mtune=native
>
> LDFLAGS    = $(FCFLAGS) -static-libgfortran
>
> LIBS       = $(LIBINT_LIB)/libscalapack-openmpi.a\
>
>              $(FFTW_LIB)/libfftw3.a\
>
>              $(LIBXC_LIB)/libxcf90.a\
>
>              $(LIBXC_LIB)/libxc.a\
>
>              $(LIBINT_LIB)/libderiv.a\
>
>              $(LIBINT_LIB)/libint.a\
>
> #            -lcudart -lcublas -lcufft
>
>              -lelpa -lblas -llapack -lrt
>
>
>
> #NVFLAGS = $(DFLAGS) -O3 -arch sm_35
>
> #NVCC    = /usr/local/cuda-8.0/bin/nvcc
>
>
>
> --
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>



-- 
*Henrique C. S. Junior*
Industrial Chemist - UFRRJ
M. Sc. Inorganic Chemistry - UFRRJ
Data Processing Center - PMP
Visite o Mundo Químico <http://mundoquimico.com.br>
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