$ldd pw.x. What prints out? It seems that /usr/lib/libblacsCinit-openmpi.so.1 get into your binary at a certain point. But it should not. This is the blacs from your OS used by scalapack but it is supposed to be the Intel one. Ye
=================== Ye Luo, Ph.D. Leadership Computing Facility Argonne National Laboratory 2018-08-07 18:21 GMT-05:00 Aziz Fall <[email protected]>: > so I changed the options in configure like you suggested with the > --with-scalapack=intel but I still get the same error after re-compiling. > Do you have any further suggestions? > > On Tue, Aug 7, 2018 at 6:22 PM, Aziz Fall <[email protected]> wrote: > >> No, I did not add that configuration as part of configure but I did >> change the make.inc >> >> to have SCALAPACK_LIBS = -L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 >> -lmkl_tbb_thread -lmkl_core -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 >> -lpthread -ltbb -lstdc++ -lm -ldl and >> MPI_LIBS = -L/opt/intel/impi/2018.3.222/lib64/ -lmpi, is that not >> enough or should I configure it again with the exact options >> --with-scalapack=intel? >> >> Thank You, >> Sincerely Aziz Fall >> >> On Tue, Aug 7, 2018 at 6:04 PM, Ye Luo <[email protected]> wrote: >> >>> That seems for openmpi. >>> Did you put --with-scalapack=intel when you run configure? >>> Ye >>> >>> =================== >>> Ye Luo, Ph.D. >>> Leadership Computing Facility >>> Argonne National Laboratory >>> >>> 2018-08-07 16:42 GMT-05:00 Aziz Fall <[email protected]>: >>> >>>> Dear Quantum espresso team, >>>> >>>> So recently I have been trying to run the executable pw.x on the bin >>>> directory. I pass in my input and output file appropriately, and I am using >>>> intel's Parallel studio compiler, with intel MPI. but when I run the >>>> program I get the following error >>>> >>>> pw.x: symbol lookup error: /usr/lib/libblacsCinit-openmpi.so.1: >>>> undefined symbol: ompi_mpi_comm_world >>>> >>>> >>>> >>>> my LD_LIBRARY_PATH is the following >>>> >>>> LD_LIBRARY_PATH=/opt/intel/compilers_and_libraries_2018.3.22 >>>> 2/linux/mpi/intel64/lib:/opt/intel/compilers_and_libraries_2 >>>> 018.3.222/linux/mpi/mic/lib:/opt/intel/compilers_and_librari >>>> es_2018.3.222/linux/compiler/lib/intel64_lin:/opt/intel/comp >>>> ilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin: >>>> /opt/intel/compilers_and_libraries_2018.3.222/linux/compiler >>>> /lib/intel64:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/compiler/lib/intel64_lin:/opt/intel/compilers_ >>>> and_libraries_2018.3.222/linux/mpi/intel64/lib:/opt/ >>>> intel/compilers_and_libraries_2018.3.222/linux/mpi/mic/lib:/ >>>> opt/intel/compilers_and_libraries_2018.3.222/linux/ >>>> ipp/lib/intel64:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/compiler/lib/intel64_lin:/opt/intel/ >>>> compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_ >>>> lin:/opt/intel/compilers_and_libraries_2018.3.222/linux/ >>>> tbb/lib/intel64/gcc4.7:/opt/intel/compilers_and_libraries_ >>>> 2018.3.222/linux/tbb/lib/intel64/gcc4.7:/opt/intel/ >>>> debugger_2018/iga/lib:/opt/intel/debugger_2018/libipt/ >>>> intel64/lib:/opt/intel/compilers_and_libraries_2018.3.222/ >>>> linux/daal/lib/intel64_lin:/opt/intel/compilers_and_librar >>>> ies_2018.3.222/linux/mpi/intel64/lib:/opt/intel/compile >>>> rs_and_libraries_2018.3.222/linux/mpi/mic/lib:/opt/intel/ >>>> compilers_and_libraries_2018.3.222/linux/compiler/lib/intel >>>> 64_lin:/opt/intel/compilers_and_libraries_2018.3.222/ >>>> linux/mkl/lib/intel64_lin:/opt/intel/compilers_and_librar >>>> ies_2018.3.222/linux/compiler/lib/intel64:/opt/intel/ >>>> compilers_and_libraries_2018.3.222/linux/compiler/lib/intel >>>> 64_lin:/opt/intel/compilers_and_libraries_2018.3.222/ >>>> linux/mpi/intel64/lib:/opt/intel/compilers_and_libraries_ >>>> 2018.3.222/linux/mpi/mic/lib:/opt/intel/compilers_and_ >>>> libraries_2018.3.222/linux/ipp/lib/intel64:/opt/intel/ >>>> compilers_and_libraries_2018.3.222/linux/compiler/lib/ >>>> intel64_lin:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/mkl/lib/intel64_lin:/opt/intel/compilers_and_ >>>> libraries_2018.3.222/linux/tbb/lib/intel64/gcc4.7:/opt/ >>>> intel/compilers_and_libraries_2018.3.222/linux/tbb/lib/ >>>> intel64/gcc4.7:/opt/intel/debugger_2018/iga/lib:/opt/ >>>> intel/debugger_2018/libipt/intel64/lib:/opt/intel/compile >>>> rs_and_libraries_2018.3.222/linux/daal/lib/intel64_lin:/ >>>> opt/intel/compilers_and_libraries_2018.3.222/linux/mpi/ >>>> intel64/lib:/opt/intel/compilers_and_libraries_2018.3.222/ >>>> linux/mpi/mic/lib:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/compiler/lib/intel64_lin:/opt/intel/compilers_ >>>> and_libraries_2018.3.222/linux/mkl/lib/intel64_lin:/ >>>> opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/ >>>> lib/intel64:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/compiler/lib/intel64_lin:/opt/intel/compilers_ >>>> and_libraries_2018.3.222/linux/mpi/intel64/lib:/opt/ >>>> intel/compilers_and_libraries_2018.3.222/linux/mpi/mic/lib:/ >>>> opt/intel/compilers_and_libraries_2018.3.222/linux/ >>>> ipp/lib/intel64:/opt/intel/compilers_and_libraries_2018. >>>> 3.222/linux/compiler/lib/intel64_lin:/opt/intel/ >>>> compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_ >>>> lin:/opt/intel/compilers_and_libraries_2018.3.222/linux/ >>>> tbb/lib/intel64/gcc4.7:/opt/intel/compilers_and_libraries_ >>>> 2018.3.222/linux/tbb/lib/intel64/gcc4.7:/opt/intel/ >>>> debugger_2018/iga/lib:/opt/intel/debugger_2018/libipt/ >>>> intel64/lib:/opt/intel/compilers_and_libraries_2018.3.222/ >>>> linux/daal/lib/intel64_lin:/opt/intel/compilers_and_librar >>>> ies_2018.3.222/linux/daal/../tbb/lib/intel64_lin/gcc4.4 >>>> >>>> >>>> >>>> any help will be highly appreciated. Thanks in advanced >>>> >>>> Sincerely Aziz Fall >>>> >>>> _______________________________________________ >>>> users mailing list >>>> [email protected] >>>> https://lists.quantum-espresso.org/mailman/listinfo/users >>>> >>> >>> >>> _______________________________________________ >>> users mailing list >>> [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >>> >> >> > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
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