<div dir="ltr">Dear cp2k users and developers,<div><br></div><div>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:</div><div><br></div><div>
<p class="p1"><span class="s1"><b>f951:</b></span><span class="s2"> </span><span class="s3"><b>Fatal Error:</b></span><span class="s2"> Reading module '</span><span class="s4"><b>libxc_funcs_m</b></span><span class="s2">' at line 1 column 2: Unexpected EOF</span></p>
<p class="p1"><span class="s2">compilation terminated.</span></p>
<p class="p1"><span class="s2">make[3]: *** [xc_libxc_wrap.o] Error 1</span></p><p class="p1"><span class="s2"><br></span></p><p class="p1"><span class="s2">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:</span></p><p class="p1"><span class="s2"><br></span></p><p class="p1"><span class="s1"># Program environments:</span></p><p class="p1"><span class="s1"># - module switch PrgEnv-cray PrgEnv-gnu</span></p><p class="p1"><span class="s1"># - module load fftw</span></p><p class="p2"><span class="s1"></span><br></p><p class="p3"><span class="s1">HWTOPO = yes</span></p><p class="p3"><span class="s1">CC = cc</span></p><p class="p3"><span class="s1">CPP =</span></p><p class="p3"><span class="s1">FC = ftn -v</span></p><p class="p3"><span class="s1">LD = ftn</span></p><p class="p3"><span class="s1">AR = ar -r</span></p><p class="p3"><span class="s1">CPPFLAGS =</span></p><p class="p3"><span class="s1">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</span></p><p class="p3"><span class="s1">CFLAGS = $(DFLAGS)</span></p><p class="p2"><span class="s1"></span><br></p><p class="p3"><span class="s1">LIBINT_LIBDIR=.../libint/1.1.4/gnu/lib</span></p><p class="p3"><span class="s1">LIBXC_LIBDIR=.../libxc/lib</span></p><p class="p3"><span class="s1">LIBXC=.../libxc/</span></p><p class="p2"><span class="s1"></span><br></p><p class="p3"><span class="s1">FCFLAGS = -O3 -ffree-form -ftree-vectorize $(DFLAGS) -ffree-line-length-512 -I$(LIBXC)/include</span></p><p class="p3"><span class="s1">LDFLAGS = $(FCFLAGS)</span></p><p class="p2"><span class="s1"></span><br></p><p class="p3"><span class="s1">LIBS =$(LIBINT_LIBDIR)/libderiv.a $(LIBINT_LIBDIR)/libint.a $(LIBXC_LIBDIR)/libxcf90.a $(LIBXC_LIBDIR)/libxc.a -lstdc++</span></p><p class="p2"><span class="s1"></span><br></p><p class="p1"><span class="s2">
</span></p><p class="p3"><span class="s1">OBJECTS_ARCHITECTURE = machine_gfortran.o</span></p><p class="p3"><span class="s1"><br></span></p><p class="p3">Any help would be greatly appreciated. Thanks!</p><p class="p3"><br></p><p class="p3">Luis</p></div></div>