From mpayami at aeoi.org.ir Wed Mar 27 21:19:30 2002 From: mpayami at aeoi.org.ir (Mahmoud Payami) Date: Wed, 27 Mar 2002 12:19:30 -0800 Subject: [Pw_forum] installation Error Message-ID: <001301c1d5cc$b4f84a20$0801a8c0@ctpmseai> Dear PWSCF users, I am a beginner with the PWSCF and have started installing the code. I am using Linux, ifc+mkl5.2, Pentium4. I have changed "tpp6" to "tpp7" and also added "-lguide" in make.sys file. I encountered the following messages when I tried to compile "make pw". Any comments are highly appreciated. Best regards, M. Payami =============================== [mahmoud at localhost PW_root]$ ./configure pc_ifc creating catalog file for Intel compiler ./configure: /home/mahmoud/PWSCF/PW_root/flib/intel.pcl: No such file or directory ./configure: /home/mahmoud/PWSCF/PW_root/flib/intel.pcl: No such file or directory make: Nothing to be done for `all'. SIZEOF ( void * ) . . . . = 4 SIZEOF ( double ) . . . . = 8 SIZEOF ( float ). . . . . = 4 SIZEOF ( int ). . . . . . = 4 SIZEOF ( char ) . . . . . = 1 ./shdep: cd: ../FPMD: No such file or directory ./shdep: cd: ../flib: No such file or directory ls: ../FPMD/*.f90: No such file or directory ./shdep: cd: ../CPV: No such file or directory [mahmoud at localhost PW_root]$ [mahmoud at localhost PW_root]$ make pw ( cd Modules; make all ) make[1]: Entering directory `/home/mahmoud/PWSCF/PW_root/Modules' ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c kind.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module KINDS module subroutine PRINT_KIND_INFO 56 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c constants.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module CONSTANTS PARAMETER( sqrt2 = 1.41421356237309504880 ) ^ Warning 101 at (56:constants.f90) : Constant truncated -- precision too great module subroutine CONSTANTS_SETUP PARAMETER( pi = 3.14159265358979323846_dbl ) ^ Warning 101 at (51:constants.f90) : Constant truncated -- precision too great PARAMETER( tpi = 2.0_dbl * 3.14159265358979323846_dbl ) ^ Warning 101 at (52:constants.f90) : Constant truncated -- precision too great PARAMETER( fpi = 4.0_dbl * 3.14159265358979323846_dbl ) ^ Warning 101 at (53:constants.f90) : Constant truncated -- precision too great PARAMETER( sqrtpi = 1.77245385090551602729_dbl ) ^ Warning 101 at (54:constants.f90) : Constant truncated -- precision too great 85 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c parallel_include.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module PARALLEL_INCLUDE 15 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c shmem_include.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module SHMEM_INCLUDE 37 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c parameters.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module PARAMETERS 44 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c io_global.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module IO_GLOBAL module subroutine IO_GLOBAL_START 35 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c mp_global.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module MP_GLOBAL module subroutine MP_GLOBAL_START module subroutine MP_GLOBAL_GROUP_START 56 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c mp.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module MP module subroutine MP_EXCNG_I module subroutine MP_GATHER_IV module subroutine MP_GATHER_CVV module subroutine MP_GATHER_RVV module subroutine MP_START module subroutine MP_END module subroutine MP_ENVIRON module subroutine MP_GROUP module subroutine MP_CART_CREATE module subroutine MP_BCAST_I4B module subroutine MP_BCAST_I1 module subroutine MP_BCAST_IV module subroutine MP_BCAST_IM module subroutine MP_BCAST_IT module subroutine MP_BCAST_R1 module subroutine MP_BCAST_RV module subroutine MP_BCAST_RM module subroutine MP_BCAST_RT module subroutine MP_BCAST_R4D module subroutine MP_BCAST_C1 module subroutine MP_BCAST_CV module subroutine MP_BCAST_CM module subroutine MP_BCAST_L module subroutine MP_BCAST_LV module subroutine MP_BCAST_LM module subroutine MP_BCAST_Z module subroutine MP_BCAST_ZV module subroutine MP_GET_I1 module subroutine MP_GET_IV module subroutine MP_GET_RV module subroutine MP_GET_RM module subroutine MP_GET_CV module subroutine MP_PUT_I1 module subroutine MP_PUT_IV module subroutine MP_PUT_RV module subroutine MP_PUT_RM module subroutine MP_PUT_CV module subroutine MP_STOP module subroutine MP_SUM_I1 module subroutine MP_SUM_IV module subroutine MP_SUM_IM module subroutine MP_SUM_IT module subroutine MP_SUM_R1 module subroutine MP_SUM_RV module subroutine MP_SUM_RM module subroutine MP_SUM_RMM module subroutine MP_SUM_RT module subroutine MP_SUM_C1 module subroutine MP_SUM_CV module subroutine MP_SUM_CM module subroutine MP_SUM_CMM module subroutine MP_SUM_CT module subroutine MP_SUM_C4D module subroutine MP_MAX_I module subroutine MP_MAX_IV module subroutine MP_MAX_R module subroutine MP_MAX_RV module subroutine MP_MIN_I module subroutine MP_MIN_IV module subroutine MP_MIN_R module subroutine MP_MIN_RV module subroutine MP_BARRIER module function MP_RANK module function MP_SIZE module subroutine MP_REPORT 1174 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c mp_wave.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module MP_WAVE module subroutine MERGEWF module subroutine SPLITWF module subroutine MERGERHO module subroutine SPLITRHO module subroutine MERGEIG module subroutine SPLITIG 285 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c io_base.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module IO_BASE module subroutine WRITE_RESTART_HEADER1 module subroutine WRITE_RESTART_HEADER2 module subroutine READ_RESTART_HEADER1 module subroutine READ_RESTART_HEADER2 module subroutine WRITE_RESTART_XDIM1 module subroutine WRITE_RESTART_XDIM2 module subroutine READ_RESTART_XDIM1 module subroutine READ_RESTART_XDIM2 module subroutine WRITE_RESTART_SYMMETRY1 module subroutine WRITE_RESTART_SYMMETRY2 module subroutine READ_RESTART_SYMMETRY1 module subroutine READ_RESTART_SYMMETRY2 module subroutine WRITE_RESTART_PSEUDO1 module subroutine WRITE_RESTART_PSEUDO3 module subroutine WRITE_RESTART_PSEUDO2 module subroutine READ_RESTART_PSEUDO1 module subroutine READ_RESTART_PSEUDO3 module subroutine READ_RESTART_PSEUDO2 module subroutine WRITE_RESTART_GVEC1 module subroutine WRITE_RESTART_GVEC2 module subroutine READ_RESTART_GVEC1 module subroutine READ_RESTART_GVEC2 module subroutine WRITE_RESTART_GKVEC1 module subroutine WRITE_RESTART_GKVEC2 module subroutine READ_RESTART_GKVEC1 module subroutine READ_RESTART_GKVEC2 module subroutine WRITE_RESTART_CELL1 module subroutine WRITE_RESTART_CELL2 module subroutine READ_RESTART_CELL1 module subroutine READ_RESTART_CELL2 module subroutine WRITE_RESTART_IONS1 module subroutine WRITE_RESTART_IONS2 module subroutine READ_RESTART_IONS1 module subroutine READ_RESTART_IONS2 module subroutine WRITE_RESTART_ELECTRONS1 module subroutine WRITE_RESTART_ELECTRONS2 module subroutine READ_RESTART_ELECTRONS1 module subroutine READ_RESTART_ELECTRONS2 module subroutine WRITE_RESTART_WFC1 module subroutine WRITE_RESTART_WFC2 module subroutine READ_RESTART_WFC1 module subroutine READ_RESTART_WFC2 module subroutine WRITE_RESTART_CHARGE1 module subroutine WRITE_RESTART_CHARGE2 module subroutine READ_RESTART_CHARGE1 module subroutine READ_RESTART_CHARGE2 module subroutine WRITE_RESTART_TEMPLATE1 module subroutine WRITE_RESTART_TEMPLATE2 module subroutine READ_RESTART_TEMPLATE1 module subroutine READ_RESTART_TEMPLATE2 4046 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c parser.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module PARSER module function MATCHES module function CAPITAL module subroutine FIELD_COUNT module subroutine READ_LINE module subroutine CPITOA module subroutine UNITNAME module subroutine MYUNITNAME module subroutine FIELD_COMPARE module subroutine CON_CAM module subroutine P_ERR_I module subroutine P_ERR_R module subroutine P_ERR_S module subroutine P_ERR_L 416 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c pseudo_types.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module PSEUDO_TYPES module subroutine NULLIFY_PSEUDO_UPF module subroutine DEALLOCATE_PSEUDO_UPF 146 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c readpseudo.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module READ_PSEUDO_MODULE module subroutine READ_PSEUDO_UPF module subroutine SCAN_BEGIN module subroutine SCAN_END module subroutine READ_PSEUDO_HEADER module subroutine READ_PSEUDO_MESH module subroutine READ_PSEUDO_NLCC module subroutine READ_PSEUDO_LOCAL module subroutine READ_PSEUDO_NL module subroutine READ_PSEUDO_PSWFC module subroutine READ_PSEUDO_RHOATOM 447 Lines Compiled ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c pseudodata.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module PSEUDODATA 35 Lines Compiled make[1]: Leaving directory `/home/mahmoud/PWSCF/PW_root/Modules' ( cd PW; make all ) make[1]: Entering directory `/home/mahmoud/PWSCF/PW_root/PW' ifc -Vaxlib -O2 -tpp7 -fpp -I/home/mahmoud/PWSCF/PW_root/include/ -DPC -DMKL -DFFTW -D"FFTWND_F77_ONE=fftwnd_f77_one" -D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" -D"FFTW_F77=fftw_f77" -D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" -nomodule -I /home/mahmoud/PWSCF/PW_root/Modules -I/home/mahmoud/PWSCF/PW_root/PW -I/home/mahmoud/PWSCF/PW_root/PH -c pwcom.f90 ifc: Command line warning: ignoring unknown option '-nomodule' module BRILZ Error FCE22 : Module PARAMETERS USEd by module BRILZ in work.pc not found module BASIS Error FCE22 : Module PARAMETERS USEd by module BASIS in work.pc not found module DYNAM Error FCE22 : Module PARAMETERS USEd by module DYNAM in work.pc not found module GVECT Error FCE22 : Module PARAMETERS USEd by module GVECT in work.pc not found module GSMOOTH Error FCE22 : Module PARAMETERS USEd by module GSMOOTH in work.pc not found module KLIST Error FCE22 : Module PARAMETERS USEd by module KLIST in work.pc not found module LSDA_MOD Error FCE22 : Module PARAMETERS USEd by module LSDA_MOD in work.pc not found module KTETRA Error FCE22 : Module PARAMETERS USEd by module KTETRA in work.pc not found module SYMME Error FCE22 : Module PARAMETERS USEd by module SYMME in work.pc not found module ATOM Error FCE22 : Module PARAMETERS USEd by module ATOM in work.pc not found module PSEUD Error FCE22 : Module PARAMETERS USEd by module PSEUD in work.pc not found module NL_C_C Error FCE22 : Module PARAMETERS USEd by module NL_C_C in work.pc not found module VLOCAL Error FCE22 : Module PARAMETERS USEd by module VLOCAL in work.pc not found module WVFCT Error FCE22 : Module PARAMETERS USEd by module WVFCT in work.pc not found module ENER Error FCE22 : Module PARAMETERS USEd by module ENER in work.pc not found module FORCE_MOD Error FCE22 : Module PARAMETERS USEd by module FORCE_MOD in work.pc not found module SCF Error FCE22 : Module PARAMETERS USEd by module SCF in work.pc not found module WORKSPACE Error FCE22 : Module PARAMETERS USEd by module WORKSPACE in work.pc not found module VARIE Error FCE22 : Module PARAMETERS USEd by module VARIE in work.pc not found module RELAX Error FCE22 : Module PARAMETERS USEd by module RELAX in work.pc not found module CELLMD Error FCE22 : Module PARAMETERS USEd by module CELLMD in work.pc not found module UNITS Error FCE22 : Module PARAMETERS USEd by module UNITS in work.pc not found module CHAR Error FCE22 : Module PARAMETERS USEd by module CHAR in work.pc not found module FILNAM Error FCE22 : Module PARAMETERS USEd by module FILNAM in work.pc not found module US Error FCE22 : Module PARAMETERS USEd by module US in work.pc not found module LDAU Error FCE22 : Module PARAMETERS USEd by module LDAU in work.pc not found module PWCOM Error FCE22 : Module CONSTANTS USEd by module PWCOM in work.pc not found Error FCE22 : Module BRILZ USEd by module PWCOM in work.pc not found Error FCE22 : Module BASIS USEd by module PWCOM in work.pc not found Error FCE22 : Module DYNAM USEd by module PWCOM in work.pc not found Error FCE22 : Module GVECT USEd by module PWCOM in work.pc not found Error FCE22 : Module GSMOOTH USEd by module PWCOM in work.pc not found Error FCE22 : Module KLIST USEd by module PWCOM in work.pc not found Error FCE22 : Module LSDA_MOD USEd by module PWCOM in work.pc not found Error FCE22 : Module KTETRA USEd by module PWCOM in work.pc not found Error FCE22 : Module SYMME USEd by module PWCOM in work.pc not found Error FCE22 : Module ATOM USEd by module PWCOM in work.pc not found Error FCE22 : Module PSEUD USEd by module PWCOM in work.pc not found Error FCE22 : Module NL_C_C USEd by module PWCOM in work.pc not found Error FCE22 : Module VLOCAL USEd by module PWCOM in work.pc not found Error FCE22 : Module WVFCT USEd by module PWCOM in work.pc not found Error FCE22 : Module ENER USEd by module PWCOM in work.pc not found Error FCE22 : Module FORCE_MOD USEd by module PWCOM in work.pc not found Error FCE22 : Module SCF USEd by module PWCOM in work.pc not found Error FCE22 : Module WORKSPACE USEd by module PWCOM in work.pc not found Error FCE22 : Module VARIE USEd by module PWCOM in work.pc not found Error FCE22 : Module RELAX USEd by module PWCOM in work.pc not found Error FCE22 : Module CELLMD USEd by module PWCOM in work.pc not found Error FCE22 : Module UNITS USEd by module PWCOM in work.pc not found Error FCE22 : Module CHAR USEd by module PWCOM in work.pc not found Error FCE22 : Module FILNAM USEd by module PWCOM in work.pc not found Error FCE22 : Module US USEd by module PWCOM in work.pc not found Error FCE22 : Module LDAU USEd by module PWCOM in work.pc not found 53 Errors compilation aborted for pwcom.f90 (code 1) make[1]: *** [pwcom.o] Error 1 make[1]: Leaving directory `/home/mahmoud/PWSCF/PW_root/PW' make: *** [pw] Error 2 [m -------------- next part -------------- An HTML attachment was scrubbed... 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