cp2K build problems

Wadud Miah wadud... at gmail.com
Mon Jan 26 20:57:26 UTC 2015


Hello, 

I am getting the following compilation error using the following 
configuration:

intel/13.1.3.192
intelmpi/4.1.1.036

mpiifort -c -O3 -D__INTEL -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2 
-D__FFTW3  -D__ELPA 
-I/apps/developers/compilers/intel/12.1.5.339/1/default/mkl/include/fftw/include 
-I/nobackup/durmwa/elpa-2014.06/include 
-I/nobackup/durmwa/libint-1.1.4-inst/include 
-I/nobackup/durmwa/libxc-2.2.1-inst/include acc_event.f90
/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90(254): error #5082: 
Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
    istat = unlink(TRIM(TARGET)
-------------------------------^
/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90(258): error #5082: 
Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
    istat = rename(TRIM(source)
-------------------------------^
/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90(329): error #5082: 
Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
    ierror = chdir(TRIM(dir)
----------------------------^
/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90(258): error #6631: A 
non-optional actual argument must be present when invoking a procedure with 
an explicit interface.   [DEST]
    istat = rename(TRIM(source)
------------^
compilation aborted for machine_internal.f90 (code 1)
make[3]: *** [machine_internal.o] Error 1
make[3]: *** Waiting for unfinished jobs....

make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2

I have also tried with gfortran 4.8.1, but I still get the same problem. 
Below is my makefile:

#
ELPA_LIB = /nobackup/durmwa/elpa-2014.06/lib
ELPA_INC = /nobackup/durmwa/elpa-2014.06/include
LIBINT_LIB = /nobackup/durmwa/libint-1.1.4-inst/lib
LIBINT_INC = /nobackup/durmwa/libint-1.1.4-inst/include
LIBXC_LIB = /nobackup/durmwa/libxc-2.2.1-inst/lib
LIBXC_INC = /nobackup/durmwa/libxc-2.2.1-inst/include

INTEL_MKL_LIB = 
/apps/developers/compilers/intel/12.1.5.339/1/default/mkl/lib/intel64
FFTW3_PATH = 
/apps/developers/compilers/intel/12.1.5.339/1/default/mkl/include/fftw
#
CC       = cc
CPP      = cpp
FC       = mpiifort
LD       = mpiifort
AR       = ar -r
CPPFLAGS = 
DFLAGS   = -D__INTEL -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2 
-D__FFTW3  -D__ELPA
FCFLAGS  = -O3 $(DFLAGS) -I${FFTW3_PATH}/include -I${ELPA_INC} 
-I$(LIBINT_INC) -I$(LIBXC_INC)
LDFLAGS  = $(FCFLAGS) -L$(LIBINT_LIB)  -L${FFTW3_PATH}/lib64  
-L$(INTEL_MKL_LIB) -L$(LIBXC_LIB) -L$(ELPA_LIB)
LIBS     =  -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 
-lmkl_sequential -lmkl_core \
            -lderiv -lint -lfftw3 -lxc -lelpa

Any help will be greatly appreciated. 

Regards,
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