[QE-users] Problem when running the pw.x executable

[Aziz Fall]

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_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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180807/a746e12b/attachment.html>