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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