[CP2K:6111] Re: cp2K build problems

Abhishek Bagusetty abhishek... at gmail.com
Tue May 19 03:35:41 UTC 2015
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Hello All,

I have been trying to compile svn trunk verion r15292 and have been getting 
the same compilation errors as stated in this thread. 

/home/kjohnson/abb58/cp2k-2.7/cp2k/src/base/machine_posix.f90(254): error #5082: 
Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :

   istat = unlink(TRIM(TARGET)

-------------------------------^

/home/kjohnson/abb58/cp2k-2.7/cp2k/src/base/machine_posix.f90(258): error 
#5082: Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :

   istat = rename(TRIM(source)

-------------------------------^

/home/kjohnson/abb58/cp2k-2.7/cp2k/src/base/machine_posix.f90(329): error 
#5082: Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :

   ierror = chdir(TRIM(dir)

----------------------------^

/home/kjohnson/abb58/cp2k-2.7/cp2k/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)

------------^

I have been using Intel ICC 15.0.1 20141023 & ifort 15.0.1 20141023 for the 
compilation. Please let me know if anyone has pointers to nail this error.

Thanks !
Abhishek

On Friday, January 30, 2015 at 2:01:25 AM UTC+5:30, Wadud Miah wrote:
>
> 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 <syne... at gmail.com <javascript:>> 
> 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 
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> > 
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>
> -- 
> email:   wadu... at gmail.com <javascript:> 
> mobile: 07905 755604 
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>
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