error compiling cp2k-3.0 and libxc 2.2.x

lar... at lbl.gov lar... at lbl.gov
Fri Mar 4 00:21:40 UTC 2016


Dear cp2k users and developers,

I am trying to compile cp2k and libxc in a Cray XC30 system (more 
specifically Edison at NERSC). I did it in the past with different versions 
but I don't seem to get it right now. I don't have any problems compiling 
libxc but when I try to install cp2k I get the following error:

*f951:* *Fatal Error:* Reading module '*libxc_funcs_m*' at line 1 column 2: 
Unexpected EOF

compilation terminated.

make[3]: *** [xc_libxc_wrap.o] Error 1


I have seen that problems with libxc when compiling cp2k are recurring in 
the group but I didn't quite find anybody that had the same problem. This 
is the make file that I am using:


# Program environments:

# - module switch PrgEnv-cray PrgEnv-gnu

# - module load fftw


HWTOPO   = yes

CC       = cc

CPP      =

FC       = ftn -v

LD       = ftn

AR       = ar -r

CPPFLAGS =

DFLAGS   = -D__GEMINI -D__MAP_POL=7 -D__GFORTRAN -D__FFTSG -D__FFTW3 
-D__HAS_NO_GETLOG -D__parallel -D__SCALAPACK -D__BLACS -D__LIBINT -D__LIBXC2

CFLAGS   = $(DFLAGS)


LIBINT_LIBDIR=.../libint/1.1.4/gnu/lib

LIBXC_LIBDIR=.../libxc/lib

LIBXC=.../libxc/


FCFLAGS  = -O3 -ffree-form -ftree-vectorize $(DFLAGS) 
-ffree-line-length-512 -I$(LIBXC)/include

LDFLAGS  = $(FCFLAGS)


LIBS     =$(LIBINT_LIBDIR)/libderiv.a $(LIBINT_LIBDIR)/libint.a 
$(LIBXC_LIBDIR)/libxcf90.a $(LIBXC_LIBDIR)/libxc.a -lstdc++


OBJECTS_ARCHITECTURE = machine_gfortran.o


Any help would be greatly appreciated. Thanks!


Luis
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