<b>Mathias, </b><div><b><br></b></div><div><b>the full path was indicated at a second moment, as a said, like this</b></div><div><br></div><div><div>CC        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiicc</div><div>FC        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort</div><div>LD        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort</div><br></div><div><b>which is the result of "which mpiifort". However, the error change to ifort not found, something like:</b></div><div><br></div><div>/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort: 1: eval: ifort: not found<br></div><div><br></div><div><b>One new insight: that solved the problem: I'm using "sudo make", which does not recognize the intel compilers. </b></div><div><b>How to solve? Removing sudo and performing not as root.</b></div><div><b><br></b></div><div><b>However, the problem moves to obj/ directory that requires root privileges to access if at the first time you tried to compiled with sudo. </b></div><div><b>We have a paradox.</b></div><div><b><br></b></div><div><b>Solving the problem:</b></div><div><b>You have to change root privileges to all directories. Just type</b> "sudo chown user:user directoty"</div><div><br></div><div><b>Thank you Matthias and Glenn, talking with you guys made me think about and I could solve the problem.</b></div><div><br></div><div><br></div><div><br></div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Em domingo, 29 de novembro de 2020 às 07:33:55 UTC-3, Matthias Krack escreveu:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">





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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Hello<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">What do you get when you type “which mpiifort”?<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">The need to specify the full path for the compiler call indicates that your environment is not properly setup.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">HTH<u></u><u></u></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">Matthias</span><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u><u></u></span></p></div></div><div lang="EN-US" link="blue" vlink="purple"><div>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif">Von:</span></b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href data-email-masked rel="nofollow">c...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>>
<b>Im Auftrag von </b>Diego Guedes-Sobrinho<br>
<b>Gesendet:</b> Sonntag, 29. November 2020 11:07<br>
<b>An:</b> <a href data-email-masked rel="nofollow">c...@googlegroups.com</a><br>
<b>Betreff:</b> Re: [CP2K:14307] Re: Compilation problems: mpiifort not found, even though is perfectly installed<u></u><u></u></span></p>
<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">Glenn<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">That's not the case.<u></u><u></u></p>
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<p class="MsoNormal">The compilers are charged, even into ~/.bashed.rc<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">As I said, compiling others codes with intel works perfectly.<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">Em dom, 29 de nov de 2020 01:06, Glenn Wolosh <<a href data-email-masked rel="nofollow">g...@njit.edu</a>> escreveu:<u></u><u></u></p>
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<blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm">
<p class="MsoNormal">Oops, that should be <u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">source /opt/intel/compilers_and_libraries_2020.4.304/linux/bin/compilervars.sh intel64<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">--Glenn<u></u><u></u></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><u></u> <u></u></p>
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<p class="MsoNormal">On Saturday, November 28, 2020 at 11:04:51 PM UTC-5 Glenn Wolosh wrote:<u></u><u></u></p>
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<p class="MsoNormal">You need to source the intel compilers prior to compiling:<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">source /opt/intel/compilers_and_libraries_2020.4.304/linux/compilervars.sh intel64<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">--Glenn<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">On Saturday, November 28, 2020 at 9:18:06 PM UTC-5 <a href data-email-masked rel="nofollow">
gue...@gmail.com</a> wrote:<u></u><u></u></p>
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<p class="MsoNormal"><b>Hi everyone, I'm trying a compilation with intel compilers with the following archtecture:</b><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">------------------------------<u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">CC        = mpiicc</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">FC        = mpiifort</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LD        = mpiifort</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">AR        = ar -r</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">CFLAGS    = -O3 -xAVX -g -traceback -xHost</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">DFLAGS    = -D__FFTW3 -D__MKL -D__MPI_VERSION=3</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">DFLAGS   += -D__parallel -D__SCALAPACK</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS   = $(CFLAGS) $(DFLAGS)</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS  += -fpp -fp-model precise -free -funroll-loops</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS  += -I${MKLROOT}/include -I${MKLROOT}/include/fftw</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LDFLAGS   = $(FCFLAGS) -static-intel -static_mpi</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LDFLAGS_C = -nofor_main</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">MKL_LIB   = ${MKLROOT}/lib/intel64</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS      = $(MKL_LIB)/libmkl_scalapack_lp64.a</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += -Wl,--start-group</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += $(MKL_LIB)/libmkl_intel_lp64.a</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += ${MKL_LIB}/libmkl_sequential.a</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += $(MKL_LIB)/libmkl_core.a</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">LIBS     += -Wl,--end-group</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt"># Required due to memory leak that occurs if high optimisations are used</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">        $(FC) -c $(subst O2,O0,$(FCFLAGS)) $<</span><u></u><u></u></p>
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<p class="MsoNormal">----------------------<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><b>After following command </b><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">make -j 6 ARCH=Linux-x86-64-intel-minimal_changed VERSION=popt<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><b>I got the following error message:</b><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">/bin/sh: 1: mpiifort: not found</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/dbcsr/Makefile:428: recipe for target 'dbcsr_kinds.o' failed</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make[4]: *** [dbcsr_kinds.o] Error 127</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">Makefile:129: recipe for target 'libdbcsr' failed</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make[3]: *** [libdbcsr] Error 2</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/Makefile.inc:16: recipe for target 'dbcsr' failed</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make[2]: *** [dbcsr] Error 2</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make[2]: ** Esperando que outros processos terminem.</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/Makefile:123: recipe for target 'popt' failed</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make[1]: *** [popt] Error 2</span><u></u><u></u></p>
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<div>
<p class="MsoNormal"><span style="font-size:10.0pt">Makefile:118: recipe for target 'all' failed</span><u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:10.0pt">make: *** [all] Error 2</span><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
</div>
<div>
<p class="MsoNormal"><b>mpiifort is installed, such as others codes can be compiled with the intel set.</b><u></u><u></u></p>
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<p class="MsoNormal"><b>By setting explicity the path for mpiifort and mpiicc, e. g.</b><u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<div>
<p class="MsoNormal">CC        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiicc<u></u><u></u></p>
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<p class="MsoNormal">FC        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort<u></u><u></u></p>
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<p class="MsoNormal">LD        = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<div>
<p class="MsoNormal"><b>the compilation error change to </b><u></u><u></u></p>
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<div>
<p class="MsoNormal"><u></u> <u></u></p>
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<div>
<p class="MsoNormal"><span style="font-size:10.0pt">/opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort: 1: eval: ifort: not found</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/dbcsr/Makefile:428: recipe for target 'dbcsr_kinds.o' failed</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make[4]: *** [dbcsr_kinds.o] Error 127</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">Makefile:129: recipe for target 'libdbcsr' failed</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make[3]: *** [libdbcsr] Error 2</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/exts/Makefile.inc:16: recipe for target 'dbcsr' failed</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make[2]: *** [dbcsr] Error 2</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make[2]: ** Esperando que outros processos terminem.</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">/home/dgs/Downloads/cp2k-7.1/cp2k-7.1_parallel/cp2k-7.1/Makefile:123: recipe for target 'popt' failed</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make[1]: *** [popt] Error 2</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">Makefile:118: recipe for target 'all' failed</span><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><span style="font-size:10.0pt">make: *** [all] Error 2</span><u></u><u></u></p>
</div>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
</div>
</div>
</div>
<div>
<p class="MsoNormal"><b>Anyone would know how to solve this?</b><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><b>Thanks in advance.</b><u></u><u></u></p>
</div>
<div>
<p class="MsoNormal"><u></u> <u></u></p>
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</blockquote>
</div>
</blockquote>
</div>
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