Compiling 2.6.0

pnogil... at pnogil... at
Tue Mar 3 16:02:36 UTC 2015

Dear Users,

I have been trying to compile cp2k version 2.6.0 on our university cluster 
using the following arch file:

CC         = cc
CPP        =
FC         = mpif90 -ffree-form
LD         = mpif90
AR         = ar -r
ACML_INC   = /usr/local/packages5/acml4.2.0-gfortran/gfortran64/include
ACML_LIB   = /usr/local/packages5/acml4.2.0-gfortran/gfortran64/lib
FFTW_INC   = /usr/local/packages5/fftw3/3.3.2/include
FFTW_LIB   = /usr/local/packages5/fftw3/3.3.2/lib
LIBINT_INC = /home/chp14png/Software/libint/libint-1.1.4/lib
LIBINT_LIB = /home/chp14png/Software/libint/libint-1.1.4/include
             -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\
             -D__parallel -D__SCALAPACK
CPPFLAGS   = -traditional -C $(DFLAGS) -P
FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none 
-I$(INTEL_INC) -fno-omit-frame-pointer -g\
             -ftree-vectorize -funroll-loops\
             -I$(ACML_INC) -I$(FFTW_INC) -I$(LIBINT_INC)
LIBS       = /usr/local/SCALAPACK/libscalapack.a -L$(ACML_LIB)/libacml.a 
-L$(FFTW_LIB)/libfftw3.a -L$(LIBINT_LIB)/libderiv.a 
-L$(LIBINT_LIB)/libint.a \
             -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_gf_lp64 
-lmkl_sequential -lmkl_core -lderiv -lint -lstdc++

OBJECTS_ARCHITECTURE = machine_gfortran.o

Compiling using a gcc mpi fortran 90 compiler (using openmpi 1.8.3) 
produces the error:

Tue Mar  3 14:41:11 GMT 2015\"" -D__COMPILE_HOST="\"testnode03\"" 
-D__COMPILE_REVISION="\"svn:14880\"" -D__SHORT_FILE__="\"kinds.F\"" 
gfortran:  : No such file or directory
make[3]: *** [kinds.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2

At this point I am trying to discern if it's a problem with our hpc setup 
or not, so my general question is: are there any simple mistakes in the 
architecture file?

Best Regards

-Peter Gillespie
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