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

[Filippo Spiga]

The correct wrapper in your case is probably mpiifort, not mpif90. 

Please do

./configure MPIF90=mpiifort F90=ifort --enable-parallel --disable-openmp --with-scalapak=intel

Do not specify anything more when you run configure. If Intel compilers are installed correctly the configure will pick the right stuff automatically

HTH
F



> On Oct 31, 2014, at 9:24 AM, HPC SUPPORT <hpcananta at gmail.com> wrote:
> 
> 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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> 
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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

*****
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."