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

[HPC SUPPORT]

Hi Filippo,

Thanks for the update.

1)Here I have specified intel Library only.
BLAS_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
SCALAPACK_LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
FFT_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"

2)For MPI also, I am using intelmpi Not openmpi.
]# mpif90 --show
/usr/lib/gcc/x86_64-redhat-linux/4.4.6/libgfortranbegin.a(fmain.o): In
function `main':
(.text+0x26): undefined reference to `MAIN__'

But, still I am facing problem,
I don't know where I am lacking.
Could you help me to solve this problem?

Thanks & Regards
Jaikumar S


On Thu, Oct 30, 2014 at 9:52 PM, Filippo Spiga <spiga.filippo at gmail.com>
wrote:

> 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
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> 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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