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

[Aziz Fall]

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 <afall at umich.edu> 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 <xw111luoye at gmail.com> 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 <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_2018.3.22
>>> 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
>>> users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>
>>
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