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. >> 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_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/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/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 >
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