[CP2K:6105] Re: cp2K build problems

[Marco]

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 <javascript:>> 
> 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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