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

[Paolo Giannozzi]

On Tue, 2014-10-28 at 20:32 +0530, Bramha Pandey wrote:

> Hi, I am not expert in installation but I can see in ./configure line,
> you have used espresso-501 instead of espresso-5.1. This may be one
> reason.

unlikely: I do not think option --prefix=... is actually working.

This kind of problems invariably signal a mismatch between 
mpif90/f90/C compilers/MKL libraries/the linker. Missing 
symbols come from C subroutines, suggesting that the linker
in mpif90 doesn't find system libraries used by the C compiler.

Paolo


> 
> On 28-Oct-2014 7:33 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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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222