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

[Ye Luo]

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 <afall at umich.edu>:

> 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
>
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