<div dir="ltr">Hello All,<div><br></div><div>I have been trying to compile svn trunk verion <span style="line-height: 18px;">r15292</span> and have been getting the same compilation errors as stated in this thread. </div><div><br></div><div><div class="prettyprint" style="border: 1px solid rgb(187, 187, 187); word-wrap: break-word; background-color: rgb(250, 250, 250);"><code class="prettyprint"><div class="subprettyprint"><p class="p1"><span class="s1"><span style="color: #080;" class="styled-by-prettify">/home/</span><span style="color: #000;" class="styled-by-prettify">kjohnson</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">abb58</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">2.7</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">src</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #008;" class="styled-by-prettify">base</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">machine_posix</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">f90</span><span style="color: #660;" class="styled-by-prettify">(</span><span style="color: #066;" class="styled-by-prettify">254</span><span style="color: #660;" class="styled-by-prettify">):</span><span style="color: #000;" class="styled-by-prettify"> error </span><span style="color: #800;" class="styled-by-prettify">#5082: Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">    istat = unlink(TRIM(TARGET)</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">-------------------------------^</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">/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: ) :: , :</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">    istat = rename(TRIM(source)</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">-------------------------------^</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">/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: ) :: , :</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">    ierror = chdir(TRIM(dir)</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">----------------------------^</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">/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]</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">    istat = rename(TRIM(source)</span></span></p><p class="p1"><span class="s1"><span style="color: #800;" class="styled-by-prettify">------------^</span></span></p></div></code></div><br>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.</div><div><br></div><div>Thanks !</div><div>Abhishek</div>







<div><div><br>On Friday, January 30, 2015 at 2:01:25 AM UTC+5:30, Wadud Miah wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Marco,
<br>
<br>Unfortunately, it is still not working. It seems to be stuck at the
<br>intrinsic function TRIM.
<br>
<br>Regards,
<br>
<br>On 29 January 2015 at 19:43, Marco <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="aiHowFqUlE0J" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">syne...@gmail.com</a>> wrote:
<br>> Hello Wadud,
<br>>
<br>> Could you try adding the following to the FCFLAGS of your Makefile and
<br>> re-compile:
<br>>
<br>> -ffree-line-length-none
<br>> or
<br>> -ffree-line-length-512
<br>>
<br>> Regards,
<br>> Marco
<br>>
<br>>
<br>>
<br>>
<br>>
<br>> On Thursday, January 29, 2015 at 1:42:02 PM UTC-5, Wadud Miah wrote:
<br>>>
<br>>> Hello Marco,
<br>>>
<br>>> Thanks for the reply. I think the error I am seeing is a syntax error
<br>>> and not a link error. I am also seeing the same syntax error with
<br>>> gfortran 4.4.7:
<br>>>
<br>>> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90:<wbr>254.31:
<br>>>     Included at /home/cp2k-2.6.0/src/base/<wbr>machine_internal.F:8:
<br>>>
<br>>>     istat = unlink(TRIM(TARGET)
<br>>>                                1
<br>>> Error: Syntax error in argument list at (1)
<br>>> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90:<wbr>258.31:
<br>>>     Included at /home/cp2k-2.6.0/src/base/<wbr>machine_internal.F:8:
<br>>>
<br>>>     istat = rename(TRIM(source)
<br>>>                                1
<br>>> Error: Syntax error in argument list at (1)
<br>>> /home/cp2k-2.6.0/src/base/<wbr>machine_posix.f90:329.28:
<br>>>     Included at /home/cp2k-2.6.0/src/base/<wbr>machine_internal.F:8:
<br>>>
<br>>>     ierror = chdir(TRIM(dir)
<br>>>                             1
<br>>> Error: Syntax error in argument list at (1)
<br>>> make[3]: *** [machine_internal.o] Error 1
<br>>> make[2]: *** [all] Error 2
<br>>> make[1]: *** [popt] Error 2
<br>>> make: *** [all] Error 2
<br>>>
<br>>> Regards,
<br>>> Wadud.
<br>>>
<br>>>
<br>>> On 28 January 2015 at 01:22, Marco <<a>syne...@gmail.com</a>> wrote:
<br>>> > Hello,
<br>>> >
<br>>> > This may not help but many times it is recommended to consult the Intel
<br>>> > MKL
<br>>> > Link Line Advisor when linking Intel MKL libraries (ScaLAPACK, BLACS,
<br>>> > FFTW3)
<br>>> >
<br>>> > <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-<wbr>us/articles/intel-mkl-link-<wbr>line-advisor</a>
<br>>> >
<br>>> > I always have a much easier time compiling the CP2K code with
<br>>> > gfortran+Intel_MKL+Intel_MPI than with Intel's ifort compiler.
<br>>> >
<br>>> > From the link line advisor, you may need to use something like the
<br>>> > following
<br>>> > in your LIBS section:
<br>>> >
<br>>> > LIBS   =   $(MKLROOT)/lib/intel64/libmkl_<wbr>scalapack_lp64.a
<br>>> > -Wl,--start-group
<br>>> > $(MKLROOT)/lib/intel64/libmkl_<wbr>gf_lp64.a
<br>>> > $(MKLROOT)/lib/intel64/libmkl_<wbr>core.a
<br>>> > $(MKLROOT)/lib/intel64/libmkl_<wbr>sequential.a -Wl,--end-group
<br>>> > $(MKLROOT)/lib/intel64/libmkl_<wbr>blacs_intelmpi_lp64.a -lpthread -lm
<br>>> >
<br>>> > Best regards,
<br>>> > Marco
<br>>> >
<br>>> >
<br>>> >
<br>>> > On Monday, January 26, 2015 at 3:57:27 PM UTC-5, Wadud Miah wrote:
<br>>> >>
<br>>> >> Hello,
<br>>> >>
<br>>> >> I am getting the following compilation error using the following
<br>>> >> configuration:
<br>>> >>
<br>>> >> 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>
<br>>> >> 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>
<br>>> >>
<br>>> >> mpiifort -c -O3 -D__INTEL -D__parallel -D__SCALAPACK -D__LIBINT
<br>>> >> -D__LIBXC2
<br>>> >> -D__FFTW3  -D__ELPA
<br>>> >>
<br>>> >> -I/apps/developers/compilers/<wbr>intel/12.1.5.339/1/default/<wbr>mkl/include/fftw/include
<br>>> >> -I/nobackup/durmwa/elpa-2014.<wbr>06/include
<br>>> >> -I/nobackup/durmwa/libint-1.1.<wbr>4-inst/include
<br>>> >> -I/nobackup/durmwa/libxc-2.2.<wbr>1-inst/include acc_event.f90
<br>>> >> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90(<wbr>254): error
<br>>> >> #5082:
<br>>> >> Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
<br>>> >>     istat = unlink(TRIM(TARGET)
<br>>> >> ------------------------------<wbr>-^
<br>>> >> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90(<wbr>258): error
<br>>> >> #5082:
<br>>> >> Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
<br>>> >>     istat = rename(TRIM(source)
<br>>> >> ------------------------------<wbr>-^
<br>>> >> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90(<wbr>329): error
<br>>> >> #5082:
<br>>> >> Syntax error, found END-OF-STATEMENT when expecting one of: ) :: , :
<br>>> >>     ierror = chdir(TRIM(dir)
<br>>> >> ----------------------------^
<br>>> >> /nobackup/durmwa/cp2k-2.6.0/<wbr>src/base/machine_posix.f90(<wbr>258): error
<br>>> >> #6631:
<br>>> >> A non-optional actual argument must be present when invoking a
<br>>> >> procedure
<br>>> >> with an explicit interface.   [DEST]
<br>>> >>     istat = rename(TRIM(source)
<br>>> >> ------------^
<br>>> >> compilation aborted for machine_internal.f90 (code 1)
<br>>> >> make[3]: *** [machine_internal.o] Error 1
<br>>> >> make[3]: *** Waiting for unfinished jobs....
<br>>> >>
<br>>> >> make[2]: *** [all] Error 2
<br>>> >> make[1]: *** [popt] Error 2
<br>>> >> make: *** [all] Error 2
<br>>> >>
<br>>> >> I have also tried with gfortran 4.8.1, but I still get the same
<br>>> >> problem.
<br>>> >> Below is my makefile:
<br>>> >>
<br>>> >> #
<br>>> >> ELPA_LIB = /nobackup/durmwa/elpa-2014.06/<wbr>lib
<br>>> >> ELPA_INC = /nobackup/durmwa/elpa-2014.06/<wbr>include
<br>>> >> LIBINT_LIB = /nobackup/durmwa/libint-1.1.4-<wbr>inst/lib
<br>>> >> LIBINT_INC = /nobackup/durmwa/libint-1.1.4-<wbr>inst/include
<br>>> >> LIBXC_LIB = /nobackup/durmwa/libxc-2.2.1-<wbr>inst/lib
<br>>> >> LIBXC_INC = /nobackup/durmwa/libxc-2.2.1-<wbr>inst/include
<br>>> >>
<br>>> >> INTEL_MKL_LIB =
<br>>> >> /apps/developers/compilers/<wbr>intel/12.1.5.339/1/default/<wbr>mkl/lib/intel64
<br>>> >> FFTW3_PATH =
<br>>> >> /apps/developers/compilers/<wbr>intel/12.1.5.339/1/default/<wbr>mkl/include/fftw
<br>>> >> #
<br>>> >> CC       = cc
<br>>> >> CPP      = cpp
<br>>> >> FC       = mpiifort
<br>>> >> LD       = mpiifort
<br>>> >> AR       = ar -r
<br>>> >> CPPFLAGS =
<br>>> >> DFLAGS   = -D__INTEL -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2
<br>>> >> -D__FFTW3  -D__ELPA
<br>>> >> FCFLAGS  = -O3 $(DFLAGS) -I${FFTW3_PATH}/include -I${ELPA_INC}
<br>>> >> -I$(LIBINT_INC) -I$(LIBXC_INC)
<br>>> >> LDFLAGS  = $(FCFLAGS) -L$(LIBINT_LIB)  -L${FFTW3_PATH}/lib64
<br>>> >> -L$(INTEL_MKL_LIB) -L$(LIBXC_LIB) -L$(ELPA_LIB)
<br>>> >> LIBS     =  -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
<br>>> >> -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \
<br>>> >>             -lderiv -lint -lfftw3 -lxc -lelpa
<br>>> >>
<br>>> >> Any help will be greatly appreciated.
<br>>> >>
<br>>> >> Regards,
<br>>> >
<br>>> > --
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<br>>>
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<br>>>
<br>>> --
<br>>> email:   <a>wadu...@gmail.com</a>
<br>>> mobile: 07905 755604
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<br></blockquote></div></div></div>