[CP2K:6111] Re: cp2K build problems

W. Miah wadud... at gmail.com
Thu Jan 29 20:31:22 UTC 2015
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Hi Marco,

Unfortunately, it is still not working. It seems to be stuck at the
intrinsic function TRIM.

Regards,

On 29 January 2015 at 19:43, Marco <synerg... at gmail.com> wrote:
> Hello Wadud,
>
> Could you try adding the following to the FCFLAGS of your Makefile and
> re-compile:
>
> -ffree-line-length-none
> or
> -ffree-line-length-512
>
> Regards,
> Marco
>
>
>
>
>
> On Thursday, January 29, 2015 at 1:42:02 PM UTC-5, Wadud Miah wrote:
>>
>> 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 <syne... 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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>>
>>
>> --
>> email:   wadu... at gmail.com
>> mobile: 07905 755604
>> gnupg: 2E29 B22F
>
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-- 
email:   wadud... at gmail.com
mobile: 07905 755604
gnupg: 2E29 B22F
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