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_ >>> 2018.3.222/linux/mpi/mic/lib:/opt/intel/compilers_and_librar >>> ies_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_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/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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