<div dir="ltr">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 <pre class="message"> </pre> On Thursday, January 29, 2015 at 1:42:02 PM UTC-5, Wadud Miah wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">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 <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="h01WTksPNrgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">syne...@gmail.com</a>> 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) > > <a href="https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fsoftware.intel.com%2Fen-us%2Farticles%2Fintel-mkl-link-line-advisor\46sa\75D\46sntz\0751\46usg\75AFQjCNEeDLMY59OF3CfCgrCjFRZCTQ7n4w';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fsoftware.intel.com%2Fen-us%2Farticles%2Fintel-mkl-link-line-advisor\46sa\75D\46sntz\0751\46usg\75AFQjCNEeDLMY59OF3CfCgrCjFRZCTQ7n4w';return true;">https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor</a> > > 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/<a href="http://13.1.3.192" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2F13.1.3.192\46sa\75D\46sntz\0751\46usg\75AFQjCNEJ_TB3r6ZfQRvOgEJy-vP0Paq0bw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2F13.1.3.192\46sa\75D\46sntz\0751\46usg\75AFQjCNEJ_TB3r6ZfQRvOgEJy-vP0Paq0bw';return true;">13.1.3.192</a> >> intelmpi/<a href="http://4.1.1.036" target="_blank" rel="nofollow" onmousedown="this.href='http://4.1.1.036';return true;" onclick="this.href='http://4.1.1.036';return true;">4.1.1.036</a> >> >> 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, > > -- > You received this message because you are subscribed to a topic in the > Google Groups "cp2k" group. > To unsubscribe from this topic, visit > <a href="https://groups.google.com/d/topic/cp2k/VfL4Skq2-lI/unsubscribe" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/topic/cp2k/VfL4Skq2-lI/unsubscribe';return true;" onclick="this.href='https://groups.google.com/d/topic/cp2k/VfL4Skq2-lI/unsubscribe';return true;">https://groups.google.com/d/topic/cp2k/VfL4Skq2-lI/unsubscribe</a>. > To unsubscribe from this group and all its topics, send an email to > <a href="javascript:" target="_blank" gdf-obfuscated-mailto="h01WTksPNrgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="h01WTksPNrgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="http://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='http://groups.google.com/group/cp2k';return true;" onclick="this.href='http://groups.google.com/group/cp2k';return true;">http://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. -- email: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="h01WTksPNrgJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">wadu...@gmail.com</a> mobile: 07905 755604 gnupg: 2E29 B22F </blockquote></div>