Unable to link ELPA201705 : Intel(R) Xeon(R) CPU E5, intel 2017.4.196 compiler
Alfio Lazzaro
alfio.... at gmail.com
Wed May 2 12:37:08 UTC 2018
Dear Prasanth,
It is a linking problem between ELPA and LAPACK. Looking at your MKL
linking, I think there is something wrong: your linking both sequential and
threading.
I used the MKL advisor
(see https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor
) and I got the following line:
${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group
${MKLROOT}/lib/intel64/libmkl_intel_lp64.a
${MKLROOT}/lib/intel64/libmkl_sequential.a
${MKLROOT}/lib/intel64/libmkl_core.a
${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group
-lpthread -lm -ldl
It can also be that you have to change the order of your library. Try to
put ELPA library (-L$(ELPA_DIR)/lib -lelpa_openmp) before MKL.
Ciao!
Alfio
Il giorno mercoledì 2 maggio 2018 14:22:58 UTC+2, ganta.... at gmail.com ha
scritto:
>
> Dear CP2K team/users,
>
> I am trying to link ELPA 2017.05 version to CP2K 5.1 verison on Intel(R)
> Xeon(R) CPU E5-2640 v3 @ 2.60GHz. I am using intel 2017.4.196 compiler and
> MKL version.
>
> I have installed CP2K 5.1 without ELPA and I am could run simulations
> without any issues. *But when I try to link elpa, I found following
> errors.* Please let me know how to proceed regarding this. I have
> attached arch file for your reference.
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_':
> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':
> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o):
> In function `elpa1_compute_mp_merge_systems_double_':
> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o):
> In function `elpa2_compute_mp_band_band_real_double_':
>
> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'
>
>
> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_':
> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':
> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o):
> In function `elpa1_compute_mp_merge_systems_double_':
> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o):
> In function `elpa2_compute_mp_band_band_real_double_':
>
> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'
>
>
> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'
>
>
> make[3]: ***
> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/cp2k_shell.psmp]
> Error 1
>
> make[3]: *** Waiting for unfinished jobs....
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_complex_double_impl_':
> ipo_out.c:(.text+0x6636): undefined reference to `ztrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_auxiliary.o):
> In function `elpa1_auxiliary_impl_mp_elpa_invert_trm_real_double_impl_':
> ipo_out.c:(.text+0xc116): undefined reference to `dtrtri_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa1_compute_private.o):
> In function `elpa1_compute_mp_merge_systems_double_':
> ipo_out.c:(.text+0x18c46): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x19855): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x19885): undefined reference to `dlaed5_'
>
>
> ipo_out.c:(.text+0x199f0): undefined reference to `dlamrg_'
>
>
> ipo_out.c:(.text+0x1af4a): undefined reference to `dlamrg_'
>
>
> /users/pg163/share_cp2k/support_softwares/elpa/default-hsw-omp/lib/libelpa_openmp.a(libelpa_openmp_private_la-elpa2_compute.o):
> In function `elpa2_compute_mp_band_band_real_double_':
>
> ipo_out.c:(.text+0x330a9): undefined reference to `dgeqrf_'
>
>
> ipo_out.c:(.text+0x34133): undefined reference to `dgeqrf_'
>
>
> make[3]: ***
> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/cp2k.psmp]
> Error 1
>
> make[3]: ***
> [/users/pg163/share_cp2k/cp2k-5_1-branch/cp2k/exe/intel_mkl_blas_init_xsmm_xc_elpa/libcp2k_unittest.psmp]
> Error 1
>
> make[2]: *** [all] Error 2
>
>
> make[1]: *** [psmp] Error 2
>
>
> make: *** [all] Error 2
>
>
>
> Please let me know if you have any suggestions.
>
> Thanks and Regards,
> Prasanth.
>
>
>
>
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