[CP2K:4069] gfortran-openMP probelm durigng the compilation

David T amazing... at gmail.com
Mon Oct 1 13:26:23 CEST 2012


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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