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

Aziz Fall afall at umich.edu
Wed Aug 8 02:07:06 CEST 2018 

yeah so when I type ldd pw.x I get the following

        linux-vdso.so.1 =>  (0x00007ffffcb9e000)
        libmkl_scalapack_lp64.so =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin/libmkl_scalapack_lp64.so
(0x00007ffed7300000)
        libmkl_blacs_intelmpi_lp64.so =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin/libmkl_blacs_intelmpi_lp64.so
(0x00007ffed70b0000)
        libmkl_gf_lp64.so =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin/libmkl_gf_lp64.so
(0x00007ffed65a0000)
        libmkl_sequential.so =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin/libmkl_sequential.so
(0x00007ffed5130000)
        libmkl_core.so =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64_lin/libmkl_core.so
(0x00007ffed10fe000)
        libmpifort.so.12 =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mpi/intel64/lib/libmpifort.so.12
(0x00007ffed0d40000)
        libmpi.so.12 =>
/opt/intel/compilers_and_libraries_2018.3.222/linux/mpi/intel64/lib/libmpi.so.12
(0x00007ffed00b0000)
        libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0
(0x00007ffecfe70000)
        libgfortran.so.3 => /usr/lib/x86_64-linux-gnu/libgfortran.so.3
(0x00007ffecfb40000)
        libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007ffecf830000)
        libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1
(0x00007ffecf610000)
        libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007ffecf240000)
        libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007ffecf020000)
        librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007ffecee10000)
        /lib64/ld-linux-x86-64.so.2 (0x00007ffed7e00000)
        libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0
(0x00007ffecebc0000)

I am not sure I know what to make of this though, do you have an idea by
any chance?

Sincerely Aziz Fall

On Tue, Aug 7, 2018 at 7:48 PM, Ye Luo <xw111luoye at gmail.com> wrote:

> $ldd pw.x.
> What prints out?
> It seems that /usr/lib/libblacsCinit-openmpi.so.1 get into your binary at
> a certain point. But it should not.
> This is the blacs from your OS used by scalapack but it is supposed to be
> the Intel one.
> Ye
>
> ===================
> Ye Luo, Ph.D.
> Leadership Computing Facility
> Argonne National Laboratory
>
> 2018-08-07 18:21 GMT-05:00 Aziz Fall <afall at umich.edu>:
>
>> 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_2
>>>>> 018.3.222/linux/mpi/mic/lib:/opt/intel/compilers_and_librari
>>>>> es_2018.3.222/linux/compiler/lib/intel64_lin:/opt/intel/comp
>>>>> ilers_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/compile
>>>>> rs_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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