[CP2K:4072] gfortran-openMP probelm durigng the compilation

Christiane Pousa pousa.ch... at gmail.com
Mon Oct 1 13:34:09 CEST 2012


Hi David,

You are missing the libderiv in the LIBS line also. You should have it on
the same directory of /usr/local/libint/1.1.4-stable/lib/

Cheers,

On Mon, Oct 1, 2012 at 1:26 PM, David T <amazing... at gmail.com> wrote:

> Hello Iain,
> thanks for your answer. I modified a bit the arch file. Now my shell
> starts to compile. Unfortunately after a while I got an error related to
> the blacs library. Since I installed them with aptitude I am sure they are
> correctly compiled so the error is in the arch file (i.e. in the option). I
> will struggle with it.
> Any tips from you or other readers would be really appreciated :-)
>
> here my new arch file:
>
>
> CC       = cc
> CPP      =
> FC       = mpif90
> LD       = mpif90
>
> AR       = ar -r
> CPPFLAGS =
> DFLAGS   =  -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__parallel
> -D__SCALAPACK -D__BLACS
> FCFLAGS  = -O2 -fopenmp -ffast-math -funroll-loops -ftree-vectorize
> -march=native -ffree-form $(DFLAGS)
> LDFLAGS  = $(FCFLAGS)
> LIBS     =  -llapack -lblas -lfftw3
> /usr/local/libint/1.1.4-stable/lib/libint.a /usr/lib/libscalapack-openmpi.a
> /usr/lib/libblacs-openmpi.a
> OBJECTS_ARCHITECTURE = machine_gfortran.o
>
> this is the error:
>
> /home/dt378/Programs/cp2k-2.3/makefiles/../lib/Linux-x86-64-gfortran/psmp/libcp2k_lib.a(hfx_libint_wrapper.o):
> In function `__hfx_libint_wrapper_MOD_initialize_libderiv':
> hfx_libint_wrapper.F:(.text+0x3c9): undefined reference to
> `init_libderiv_base'
> hfx_libint_wrapper.F:(.text+0x3dc): undefined reference to `init_libderiv1'
> /home/dt378/Programs/cp2k-2.3/makefiles/../lib/Linux-x86-64-gfortran/psmp/libcp2k_lib.a(hfx_libint_wrapper.o):
> In function `__hfx_libint_wrapper_MOD_terminate_libderiv':
> hfx_libint_wrapper.F:(.text+0x361): undefined reference to `free_libderiv'
> /home/dt378/Programs/cp2k-2.3/makefiles/../lib/Linux-x86-64-gfortran/psmp/libcp2k_lib.a(cp_blacs_calls.o):
> In function `__cp_blacs_calls_MOD_cp_blacs_pinfo':
> cp_blacs_calls.F:(.text+0x143): undefined reference to `blacs_pinfo_'
> /usr/lib/libscalapack-openmpi.a(pdgemr.o): In function `Cpdgemr2do':
> (.text+0x302a): undefined reference to `Cblacs_pinfo'
> /usr/lib/libscalapack-openmpi.a(pdgemr.o): In function `pdgemr2do_':
> (.text+0x316e): undefined reference to `Cblacs_pinfo'
> /usr/lib/libscalapack-openmpi.a(pdtrmr.o): In function `Cpdtrmr2do':
> (.text+0x2bbc): undefined reference to `Cblacs_pinfo'
> /usr/lib/libscalapack-openmpi.a(pdtrmr.o): In function `pdtrmr2do_':
> (.text+0x2d2a): undefined reference to `Cblacs_pinfo'
> /usr/lib/libscalapack-openmpi.a(pdlaed2.o): In function `pdlaed2_':
> (.text+0xd3): undefined reference to `blacs_pinfo_'
> /usr/lib/libblacs-openmpi.a(blacs_get_.o): In function `blacs_get_':
> (.text+0x1bc): undefined reference to `Cblacs_pinfo'
> /usr/lib/libblacs-openmpi.a(blacs_get_.o): In function `blacs_get_':
> (.text+0x1d7): undefined reference to `Cblacs_pinfo'
> /usr/lib/libblacs-openmpi.a(blacs_gridmap_.o): In function
> `blacs_gridmap_':
> (.text+0x4c5): undefined reference to `Cblacs_pinfo'
> /usr/lib/libblacs-openmpi.a(blacs_get_.C): In function `Cblacs_get':
> (.text+0x1de): undefined reference to `Cblacs_pinfo'
> /usr/lib/libblacs-openmpi.a(blacs_get_.C): In function `Cblacs_get':
> (.text+0x20c): undefined reference to `Cblacs_pinfo'
> /usr/lib/libblacs-openmpi.a(Cblacs_gridmap_.C):(.text+0x503): more
> undefined references to `Cblacs_pinfo' follow
> collect2: ld returned 1 exit status
> make[1]: ***
> [/home/dt378/Programs/cp2k-2.3/makefiles/../exe/Linux-x86-64-gfortran/cp2k.psmp]
> Error 1
> make[1]: Leaving directory
> `/home/dt378/Programs/cp2k-2.3/obj/Linux-x86-64-gfortran/psmp'
> make: *** [build] Error 2
>
>
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-- 
[]'s
Christiane Pousa Ribeiro

"Judge a man by his questions, rather than by his answers"
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