The ABINIT Users Mailing List ( CLOSED )

[BOTTIN Francois <francois.bottin@cea.fr>]

Hi,

I think you've forgotten, at least, "-lblacs -scalapack" within:
--with-scalapack-libs="-L/global/scratch/kmuriki/Scalapack/lib"
I say "at least" since you have to probably add other libraries such as 
blacsF77init or lapack.
Note that you have to sort, rearrange, them according to your compiler.
Such discussion have been treated on the forum previously.

Regards,
Francois

Anurag Chaudhry a écrit :
> Hi,
>
> recently I downloaded Abinit version 5.8.3 and was able to compile it 
> successfully with Intel FC 10.1 (+mkl 10.0) on intel xeon cluster.  
> However we didn't have scalapack libraries compiled at that time and I 
> ignored that option.
>
> cluster administrators compiled scalapack (with Intel FC) yesterday 
> and I was attempted to recompile the code with scalapack libraries 
> today.  There is something wrong and I get the following error messages
>
> ............................
>   mpif90 -g  -extend_source -vec-report0  -g  -extend_source 
> -vec-report0  -i-static -static-libcxa  -o abinip abinip-abinit.o  
> -i-static -static-libcxa ../../src/95_drive/lib95_drive.a 
> ../../src/93_rdm/lib93_rdm.a 
> ../../src/79_seqpar_mpi/lib79_seqpar_mpip.a 
> ../../src/77_ddb/lib77_ddb.a ../../src/77_suscep/lib77_suscep.a 
> ../../src/72_response/lib72_response.a 
> ../../src/72_geomoptim/lib72_geomoptim.a ../../src/68_gw/lib68_gw.a 
> ../../src/68_rsprc/lib68_rsprc.a ../../src/67_common/lib67_common.a 
> ../../src/67_recursion/lib67_recursion.a ../../src/66_paw/lib66_paw.a 
> ../../src/66_wfs/lib66_wfs.a ../../src/65_psp/lib65_psp.a 
> ../../src/65_nonlocal/lib65_nonlocal.a 
> ../../src/62_occeig/lib62_occeig.a 
> ../../src/62_iowfdenpot/lib62_iowfdenpot.a 
> ../../src/62_wvl_wfs/lib62_wvl_wfs.a 
> ../../src/62_poisson/lib62_poisson.a 
> ../../src/62_cg_noabirule/lib62_cg_noabirule.a 
> ../../src/61_ionetcdf/lib61_ionetcdf.a 
> ../../src/59_io_mpi/lib59_io_mpip.a ../../src/57_iovars/lib57_iovars.a 
> ../../src/56_recipspace/lib56_recipspace.a ../../src/56_xc/lib56_xc.a 
> ../../src/53_abiutil/lib53_abiutil.a 
> ../../src/53_spacepar/lib53_spacepar.a ../../src/53_ffts/lib53_ffts.a 
> ../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirulep.a 
> ../../src/51_manage_mpi/lib51_manage_mpip.a 
> ../../src/47_papi_counters/lib47_papi_counters.a 
> ../../src/47_xml/lib47_xml.a ../../src/42_nlstrain/lib42_nlstrain.a 
> ../../src/42_geometry/lib42_geometry.a 
> ../../src/42_parser/lib42_parser.a 
> ../../src/32_contract/lib32_contract.a ../../src/32_util/lib32_util.a 
> ../../src/28_numeric_noabirule/lib28_numeric_noabirule.a 
> ../../src/27_toolbox_oop/lib27_toolbox_oop.a 
> ../../src/18_timing/lib18_timing.a 
> ../../src/16_hideleave/lib16_hideleavep.a 
> ../../src/14_hidewrite/lib14_hidewritep.a 
> ../../src/12_hide_mpi/lib12_hide_mpip.a 
> ../../src/interfaces/libinterfaces.a ../../src/10_defs/lib10_defs.a  
> -L/global/scratch/achaudhry/abinit-5.8.3/plugins/wannier90 -lwannier 
> -L/global/scratch/achaudhry/abinit-5.8.3/plugins/bigdft -lbigdft 
> -lpoissonsolver -L/global/scratch/kmuriki/Scalapack/lib 
> -L/global/software/centos-5.x86_64/modules/mkl/10.0.4.023/lib/em64t 
> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lm -liomp5 -lpthread 
> -lmkl_lapack  -L/global/scratch/achaudhry/abinit-5.8.3/plugins/libxc 
> -lxc  -L/global/scratch/achaudhry/abinit-5.8.3/plugins/etsf_io 
> -letsf_io_low_level -letsf_io_utils -letsf_io 
> -L/global/scratch/achaudhry/abinit-5.8.3/plugins/netcdf -lnetcdf     
> ifort: command line remark #10010: option '-static-libcxa' is 
> deprecated and will be removed in a future release. See '-help deprecated'
> ifort: command line remark #10010: option '-static-libcxa' is 
> deprecated and will be removed in a future release. See '-help deprecated'
> /global/software/centos-5.x86_64/modules/intel/fce/10.1.018/lib/libimf.so: 
> warning: warning: feupdateenv is not implemented and will always fail
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `compute_eigen_problem':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:834: 
> undefined reference to `pdlamch_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:844: 
> undefined reference to `pzhegvx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:889: 
> undefined reference to `pzhegvx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:900: 
> undefined reference to `pdsygvx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:854: 
> undefined reference to `pdsygvx_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `compute_eigen_values_vectors':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:694: 
> undefined reference to `pdlamch_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:704: 
> undefined reference to `pzheevx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:747: 
> undefined reference to `pzheevx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:757: 
> undefined reference to `pdsyevx_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:713: 
> undefined reference to `pdsyevx_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `matrix_pzgemm':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:633: 
> undefined reference to `pzgemm_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `glob_loc':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:381: 
> undefined reference to `numroc_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `idx_loc':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:357: 
> undefined reference to `numroc_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:359: 
> undefined reference to `numroc_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `end_scalapack':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:149: 
> undefined reference to `blacs_gridexit_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `build_processor_scalapack':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:83: 
> undefined reference to `blacs_gridinfo_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `build_grid_scalapack':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:55: 
> undefined reference to `blacs_gridinit_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `init_scalapack':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:129: 
> undefined reference to `blacs_gridinit_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:130: 
> undefined reference to `blacs_gridinfo_'
> ../../src/51_manage_mpi/lib51_manage_mpip.a(lib51_manage_mpip_a-scalapack.o): 
> In function `init_matrix_scalapack':
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:200: 
> undefined reference to `numroc_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:204: 
> undefined reference to `numroc_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:208: 
> undefined reference to `numroc_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:208: 
> undefined reference to `numroc_'
> /global/scratch/achaudhry/abinit-5.8.3/src/51_manage_mpi/scalapack.F90:212: 
> undefined reference to `descinit_'
> make[3]: *** [abinip] Error 1
> make[3]: Leaving directory 
> `/global/scratch/achaudhry/abinit-5.8.3/src/98_main'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/global/scratch/achaudhry/abinit-5.8.3/src'
> make[1]: *** [all-recursive] Error 1
> make[1]: Leaving directory `/global/scratch/achaudhry/abinit-5.8.3'
> make: *** [all] Error 2
> ===================================================
>
> I have run the configure script with the following options and was 
> wondering if this correct ?
>
> ./configure enable_mpi=yes enable_mpi_fft=yes enable_fttw=yes 
> enable_64bit_flags=yes FC=mpif90 F77=mpif90 --enable-scalapack 
> --enable-fftw CC=mpicc CXX=mpiCC 
> --with-mpi-prefix="/global/software/centos-5.x86_64/modules/openmpi/1.3.3-intel/lib" 
> --with-mpi-level="2" 
> --with-linalg-libs="-L/global/software/centos-5.x86_64/modules/mkl/10.0.4.023/lib/em64t 
> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lm -liomp5 -lpthread 
> -lmkl_lapack " 
> --with-scalapack-libs="-L/global/scratch/kmuriki/Scalapack/lib" 
> --with-fftw-libs="/global/software/centos-5.x86_64/modules/fftw/3.1.2-intel/lib/libfftw3.la" 
> --with-fftw-includes="-I/global/software/centos-5.x86_64/modules/fftw/3.1.2-intel/include"
>
> following ./configure I run the make command.
>
> the scalapack libraries are --->   blacsCinit_MPI-x86_64-0.a,  
> blacsF77init_MPI-x86_64-0.a,  blacs_MPI-x86_64-0.a,  libscalapack_x86_64.a
>
> thanks,
> Anurag


--
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Francois Bottin                    tel: 01 69 26 41 73
CEA/DIF                            fax: 01 69 26 70 77
BP 12 Bruyeres-le-Chatel         email: Francois.Bottin@cea.fr
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