<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="EN-US" link="blue" vlink="purple"> <div class="WordSection1"> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">Hello<o:p></o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></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”?<o:p></o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></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.<o:p></o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D">HTH<o:p></o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></span></p> <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"><o:p></o:p></span></p> <p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1F497D"><o:p> </o:p></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"> cp...@googlegroups.com <...@googlegroups.com> <b>Im Auftrag von </b>Diego Guedes-Sobrinho<br> <b>Gesendet:</b> Sonntag, 29. November 2020 11:07<br> <b>An:</b> cp...@googlegroups.com<br> <b>Betreff:</b> Re: [CP2K:14307] Re: Compilation problems: mpiifort not found, even though is perfectly installed<o:p></o:p></span></p> <p class="MsoNormal"><o:p> </o:p></p> <div> <p class="MsoNormal">Glenn<o:p></o:p></p> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">That's not the case.<o:p></o:p></p> <div> <p class="MsoNormal">The compilers are charged, even into ~/.bashed.rc<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">As I said, compiling others codes with intel works perfectly.<o:p></o:p></p> </div> </div> </div> <p class="MsoNormal"><o:p> </o:p></p> <div> <div> <p class="MsoNormal">Em dom, 29 de nov de 2020 01:06, Glenn Wolosh <<a href="mailto:gwo...@njit.edu">gwo...@njit.edu</a>> escreveu:<o:p></o:p></p> </div> <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 <o:p></o:p></p> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">source /opt/intel/compilers_and_libraries_2020.4.304/linux/bin/compilervars.sh intel64<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">--Glenn<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-bottom:12.0pt"><o:p> </o:p></p> </div> <div> <div> <p class="MsoNormal">On Saturday, November 28, 2020 at 11:04:51 PM UTC-5 Glenn Wolosh wrote:<o:p></o:p></p> </div> <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">You need to source the intel compilers prior to compiling:<o:p></o:p></p> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">source /opt/intel/compilers_and_libraries_2020.4.304/linux/compilervars.sh intel64<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">--Glenn<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <div> <p class="MsoNormal">On Saturday, November 28, 2020 at 9:18:06 PM UTC-5 <a href="mailto:gue...@gmail.com"> gue...@gmail.com</a> wrote:<o:p></o:p></p> </div> <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"><b>Hi everyone, I'm trying a compilation with intel compilers with the following archtecture:</b><o:p></o:p></p> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">------------------------------<o:p></o:p></p> </div> <div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">CC = mpiicc</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">FC = mpiifort</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LD = mpiifort</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">AR = ar -r</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">CFLAGS = -O3 -xAVX -g -traceback -xHost</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">DFLAGS = -D__FFTW3 -D__MKL -D__MPI_VERSION=3</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">DFLAGS += -D__parallel -D__SCALAPACK</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS = $(CFLAGS) $(DFLAGS)</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS += -fpp -fp-model precise -free -funroll-loops</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LDFLAGS = $(FCFLAGS) -static-intel -static_mpi</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LDFLAGS_C = -nofor_main</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">MKL_LIB = ${MKLROOT}/lib/intel64</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += -Wl,--start-group</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += $(MKL_LIB)/libmkl_intel_lp64.a</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += ${MKL_LIB}/libmkl_sequential.a</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += $(MKL_LIB)/libmkl_core.a</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">LIBS += -Wl,--end-group</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt"># Required due to memory leak that occurs if high optimisations are used</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt"> $(FC) -c $(subst O2,O0,$(FCFLAGS)) $<</span><o:p></o:p></p> </div> </div> <div> <p class="MsoNormal">----------------------<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><b>After following command </b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal">make -j 6 ARCH=Linux-x86-64-intel-minimal_changed VERSION=popt<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><b>I got the following error message:</b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">/bin/sh: 1: mpiifort: not found</span><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[4]: *** [dbcsr_kinds.o] Error 127</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">Makefile:129: recipe for target 'libdbcsr' failed</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[3]: *** [libdbcsr] Error 2</span><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[2]: *** [dbcsr] Error 2</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[2]: ** Esperando que outros processos terminem.</span><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[1]: *** [popt] Error 2</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">Makefile:118: recipe for target 'all' failed</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make: *** [all] Error 2</span><o:p></o:p></p> </div> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><b>mpiifort is installed, such as others codes can be compiled with the intel set.</b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><b>By setting explicity the path for mpiifort and mpiicc, e. g.</b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <div> <div> <p class="MsoNormal">CC = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiicc<o:p></o:p></p> </div> <div> <p class="MsoNormal">FC = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort<o:p></o:p></p> </div> <div> <p class="MsoNormal">LD = /opt/intel/compilers_and_libraries_2020.4.304/linux/mpi/intel64/bin/mpiifort<o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <p class="MsoNormal"><b>the compilation error change to </b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> <div> <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><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[4]: *** [dbcsr_kinds.o] Error 127</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">Makefile:129: recipe for target 'libdbcsr' failed</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[3]: *** [libdbcsr] Error 2</span><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[2]: *** [dbcsr] Error 2</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[2]: ** Esperando que outros processos terminem.</span><o:p></o:p></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><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make[1]: *** [popt] Error 2</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">Makefile:118: recipe for target 'all' failed</span><o:p></o:p></p> </div> <div> <p class="MsoNormal"><span style="font-size:10.0pt">make: *** [all] Error 2</span><o:p></o:p></p> </div> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> </div> </div> <div> <p class="MsoNormal"><b>Anyone would know how to solve this?</b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><b>Thanks in advance.</b><o:p></o:p></p> </div> <div> <p class="MsoNormal"><o:p> </o:p></p> </div> </blockquote> </div> </blockquote> </div> <p class="MsoNormal">-- <br> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/dqPgUnh54Ss/unsubscribe" target="_blank"> https://groups.google.com/d/topic/cp2k/dqPgUnh54Ss/unsubscribe</a>.<br> To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+unsu...@googlegroups.com" target="_blank"> cp2k+unsu...@googlegroups.com</a>.<br> To view this discussion on the web visit <a 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