[CP2K:6105] Re: cp2K build problems

[W. Miah]

Hello Marco,

Thanks for the reply. I think the error I am seeing is a syntax error
and not a link error. I am also seeing the same syntax error with
gfortran 4.4.7:

/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90:254.31:
    Included at /home/cp2k-2.6.0/src/base/machine_internal.F:8:

    istat = unlink(TRIM(TARGET)
                               1
Error: Syntax error in argument list at (1)
/nobackup/durmwa/cp2k-2.6.0/src/base/machine_posix.f90:258.31:
    Included at /home/cp2k-2.6.0/src/base/machine_internal.F:8:

    istat = rename(TRIM(source)
                               1
Error: Syntax error in argument list at (1)
/home/cp2k-2.6.0/src/base/machine_posix.f90:329.28:
    Included at /home/cp2k-2.6.0/src/base/machine_internal.F:8:

    ierror = chdir(TRIM(dir)
                            1
Error: Syntax error in argument list at (1)
make[3]: *** [machine_internal.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2

Regards,
Wadud.


On 28 January 2015 at 01:22, Marco <synerg... at gmail.com> wrote:
> Hello,
>
> This may not help but many times it is recommended to consult the Intel MKL
> Link Line Advisor when linking Intel MKL libraries (ScaLAPACK, BLACS, FFTW3)
>
> https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor
>
> I always have a much easier time compiling the CP2K code with
> gfortran+Intel_MKL+Intel_MPI than with Intel's ifort compiler.
>
> From the link line advisor, you may need to use something like the following
> in your LIBS section:
>
> LIBS   =   $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group
> $(MKLROOT)/lib/intel64/libmkl_gf_lp64.a $(MKLROOT)/lib/intel64/libmkl_core.a
> $(MKLROOT)/lib/intel64/libmkl_sequential.a -Wl,--end-group
> $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a -lpthread -lm
>
> Best regards,
> Marco
>
>
>
> On Monday, January 26, 2015 at 3:57:27 PM UTC-5, Wadud Miah wrote:
>>
>> 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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