[Pw_forum] Quantum Espresso Installation Error Message - Undefined reference.

[Filippo Spiga]

Hi JaiKumar,

as pointed out by other people you need to check your compiler and MPI library. Something is mess up there!

Two suggestions:
1) if you are using Intel MPI then do "--with-scalapack=intel" instead of using the default (the default enables ScaLAPACK and uses Open MPI).
2) if you are using Open MPI then please check it has been compiled against Intel compilers and not GNU. You can check this by executing "mpicc -show" or " mpif90 -show"

After you assessed these two points the way to solve your problem it is simple: keep everything consistent.

HTH
F


> On Oct 28, 2014, at 2:02 PM, HPC SUPPORT <hpcananta at gmail.com> wrote:
> 
> Dear All,
> 
> While compiling Quantum Espresso version 5.1, we were getting undefined
> reference symbol problem like __intel_sse2_strcpy this symbol got resolved
> by adding the following library flags -L/app/l_ics_2012/lib/intel64/ -liompprof5
> -L/app/l_ics_2012/lib/intel64/ -liomp5.
> But after add it also we were still getting the same error message.
> 
> so,Could you help us to solve this problem.
> 
> # ./configure --prefix=/app/espresso-501 CFLAGS=$FCFLAGS
> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"  
> SCALAPACK_LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64"
> FFT_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
> LIBS="-L/app/l_ics_2012/lib/intel64/ -liompprof5 -L/app/l_ics_2012/lib/intel64/
> -liomp5"
> 
> mpif90 -g -pthread -o pw.x \
>            pwscf.o  libpw.a ../../Modules/libqemod.a ../../flib/ptools.a
> ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a
> -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_intel_lp64
> -lmkl_sequential -lmkl_core -lfftw3 -lmkl_intel_lp64 -lmkl_sequential
> -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
> ../../clib/clib.a(eval_infix.o): In function `GetNextToken':
> eval_infix.c:(.text+0x589): undefined reference to `__intel_sse2_strcpy'
> eval_infix.c:(.text+0x6c5): undefined reference to `__intel_sse2_strcpy'
> eval_infix.c:(.text+0x925): undefined reference to `__intel_sse2_strcpy'
> ../../clib/clib.a(eval_infix.o): In function `eval_infix':
> eval_infix.c:(.text+0xa25): undefined reference to `_intel_fast_memset'
> eval_infix.c:(.text+0xa4f): undefined reference to `_intel_fast_memcpy'
> eval_infix.c:(.text+0xa6e): undefined reference to `_intel_fast_memset'
> ../../clib/clib.a(eval_infix.o): In function `EvalInfix':
> eval_infix.c:(.text+0xece): undefined reference to `__intel_sse2_strcpy'
> eval_infix.c:(.text+0x1006): undefined reference to `__intel_sse2_strcpy'
> ../../clib/clib.a(md5_from_file.o): In function `readFile':
> md5_from_file.c:(.text+0x56): undefined reference to `_intel_fast_memset'
> ../../clib/clib.a(md5_from_file.o): In function `get_md5':
> md5_from_file.c:(.text+0x125): undefined reference to `_intel_fast_memset'
> md5_from_file.c:(.text+0x16c): undefined reference to `__intel_sse2_strlen'
> ../../clib/clib.a(md5.o): In function `md5_append':
> md5.c:(.text+0x80): undefined reference to `_intel_fast_memcpy'
> md5.c:(.text+0xf2): undefined reference to `_intel_fast_memcpy'
> ../../clib/clib.a(md5.o): In function `md5_finish':
> md5.c:(.text+0xe73): undefined reference to `_intel_fast_memcpy'
> md5.c:(.text+0xedd): undefined reference to `_intel_fast_memcpy'
> md5.c:(.text+0xf2f): undefined reference to `_intel_fast_memcpy'
> ../../clib/clib.a(md5.o):md5.c:(.text+0xf9a): more undefined references to
> `_intel_fast_memcpy' follow
> /app/intel/composer_xe_2013.1.117/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(igesd2d_.o):
> In function `igesd2d_':
> ../../../../scalapack/BLACS/SRC/MPI/igesd2d_.c:(.text+0x49): undefined reference
> to `ompi_mpi_int'
> ../../../../scalapack/BLACS/SRC/MPI/igesd2d_.c:(.text+0x8b): undefined reference
> to `ompi_mpi_byte'
> /app/intel/composer_xe_2013.1.117/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(sgesd2d_.o):
> In function `sgesd2d_':
> ../../../../scalapack/BLACS/SRC/MPI/sgesd2d_.c:(.text+0x49): undefined reference
> to `ompi_mpi_float'
> 
> Thanks & Regards
> JaiKumar S
> HPC -Engineer,
> HCL Infosystems Ltd,
> PH : 09751855415
> Email: 
> jaikumar.s at hcl.com
> 
> Technology that touches lives
> 
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--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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