compilation HFX - sopt

marc marcvanh... at gmail.com
Tue May 5 12:56:19 CEST 2009


CC       = cc
CPP      =
Dear all,

I succesfully compiled cp2k.sopt (no libint) on a x86-64 linux machine
with g95.  Now I want to include hf exchange using libint 1.1.2.  My
arch-file (Linux-x86-64-g95.sopt) looks like this.

FC       = g95
LD       = g95
AR       = ar -r
DFLAGS   = -D__G95 -D__FFTSG -D__FFTW3 -D__LIBINT
CPPFLAGS =
FCFLAGS  = $(DFLAGS) -ffree-form -O2 -ffast-math -march=opteron -cpp -
I/usr/include
LDFLAGS  = $(FCFLAGS)
LIBPATH  = /home/marc/build/libraries
LIBS     = $(LIBPATH)/lapack-3.2.1/lapack_G95.a \
           $(LIBPATH)/BLAS/blas_G95.a \
           $(LIBPATH)/libint-1.1.2/compilation_folder/lib/libderiv.a \
           $(LIBPATH)/libint-1.1.2/compilation_folder/lib/libint.a \
           $(LIBPATH)/fftw-3.2.1/compilation_folder/lib/libfftw3.a \
           #/usr/lib/gcc/x86_64-linux-gnu/4.1.2/32/libstdc++.a \
           #/usr/lib/gcc-lib/x86_64-linux-gnu/3.3.6/libstdc++.so \
           #/usr/lib/libstdc++.so.5 \
           -lstdc++ -lpthread


OBJECTS_ARCHITECTURE = machine_g95.o

Initially I compiled libint just with a prefix and the option --enable
deriv.  Then I got an error like this:

I get errors like this:
ar: creating /home/marc/build/cp2k/2009-04-27/makefiles/../lib/Linux-
x86-64-g95/sopt/libcp2k_lib.a
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(init_libderiv.o):(.eh_frame+0x12): undefined reference to
`__gxx_personality_v0'
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(d12hrr_order_0000.o):(.eh_frame+0x12): undefined reference
to `__gxx_personality_v0'
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(d12hrr_order_00d0.o):(.eh_frame+0x12): undefined reference
to `__gxx_personality_v0'
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(d12hrr_order_00dd.o):(.eh_frame+0x12): undefined reference
to `__gxx_personality_v0'
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(d12hrr_order_00dp.o):(.eh_frame+0x12): undefined reference
to `__gxx_personality_v0'
/home/marc/build/libraries/libint-1.1.2/compilation_folder/lib/
libderiv.a(d12hrr_order_00p0.o):(.eh_frame+0x12): more undefined
references to `__gxx_personality_v0' follow
make[1]: *** [/home/marc/build/cp2k/2009-04-27/makefiles/../exe/Linux-
x86-64-g95/cp2k.sopt] Error 1
make: *** [build] Error 2

Then, a collegue thought that the problem could be in the underscores,
so I compiled libint again with the options " --enable-deriv FFLAGS='-
fno-second-underscore -g -O2' ".  The previous errors are now gone,
but now I get an even more strange error like this:

Warning (158): INTENT(OUT) variable 'e' at (1) is never set
ar: creating /home/marc/build/cp2k/2009-04-27/makefiles/../lib/Linux-
x86-64-g95/sopt/libcp2k_lib.a
g95:  : No such file or directory
make[1]: *** [/home/marc/build/cp2k/2009-04-27/makefiles/../exe/Linux-
x86-64-g95/cp2k.sopt] Error 1
make: *** [build] Error 2

cp2k can't find g95??  I started compiling in the first place, so I
definitely symlinked my g95-executable (/opt/g95/0.91_32/bin/x86_64-
suse-linux-gnu-g95) with the command "g95" correct, so I don't really
understand this error message...
Any ideas?

thanks in advance!!



More information about the CP2K-user mailing list