Dear all, I am not able to install(serial installation) WIENNCM package in my system. To compile the WIENNCM I have used the following OPTIONS file ,
current:FOPT:-FR -mp -w -I/opt/intel/mkl/include current:FPOPT:-FR -mp -w -I/opt/intel/mkl/include current:LDFLAGS:-L/opt/intel/mkl/lib/intel64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -L/opt/intel/mkl/lib/intel64 current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_lp64 $(R_LIBS) -L/opt/intel/mkl/lib/intel64 There was no compilation error in the directories except in SRC_dstart. I got the following error message during compilation, SRC_dstart/compile.msg:ifort: error #10236: File not found: 'cputim.o' SRC_dstart/compile.msg:make: *** [dstart] Error 1. Can any body suggest what went wrong . Re: In some packages there were no this subroutine added, and I took it from directories of WIEN2k. It is in many directories, search cputim*. Best wishes Lyudmila Dobysheva According to suggestion given by Lyudmila Dobysheva, I took the 'cputim.o' file from wien2k directory (SRC_dstart) and put into SRC_dstart of WIENNCM. After recompiling I got the following message in compile.msg file module.o: In function `param._': module.f:(.text+0x0): multiple definition of `param._' module.o:module.f:(.text+0x0): first defined here module.o: In function `defs._': module.f:(.text+0x10): multiple definition of `defs._' module.o:module.f:(.text+0x10): first defined here module.o: In function `reallocate._': module.f:(.text+0x20): multiple definition of `reallocate._' module.o:module.f:(.text+0x20): first defined here module.o: In function `reallocate_mp_doreallocate_r8_d1_': module.f:(.text+0x30): multiple definition of `reallocate_mp_doreallocate_r8_d1_' module.o:module.f:(.text+0x30): first defined here module.o: In function `reallocate_mp_doreallocate_r8_d2_': module.f:(.text+0x3f0): multiple definition of `reallocate_mp_doreallocate_r8_d2_' module.o:module.f:(.text+0x3f0): first defined here module.o: In function `reallocate_mp_doreallocate_c16_d1_': module.f:(.text+0xbe0): multiple definition of `reallocate_mp_doreallocate_c16_d1_' module.o:module.f:(.text+0xbe0): first defined here module.o: In function `reallocate_mp_doreallocate_c16_d2_': module.f:(.text+0xf50): multiple definition of `reallocate_mp_doreallocate_c16_d2_' module.o:module.f:(.text+0xf50): first defined here module.o: In function `reallocate_mp_doreallocate_i4_d1_': module.f:(.text+0x16b0): multiple definition of `reallocate_mp_doreallocate_i4_d1_' module.o:module.f:(.text+0x16b0): first defined here module.o: In function `reallocate_mp_doreallocate_i4_d2_': module.f:(.text+0x1a00): multiple definition of `reallocate_mp_doreallocate_i4_d2_' module.o:module.f:(.text+0x1a00): first defined here module.o: In function `reallocate_mp_hugo_': module.f:(.text+0x21d0): multiple definition of `reallocate_mp_hugo_' module.o:module.f:(.text+0x21d0): first defined here module.o: In function `struct._': module.f:(.text+0x2220): multiple definition of `struct._' module.o:module.f:(.text+0x2220): first defined here module.o: In function `struct_mp_latgen_struct_': module.f:(.text+0x2230): multiple definition of `struct_mp_latgen_struct_' module.o:module.f:(.text+0x2230): first defined here module.o: In function `struct_mp_invert_struct_': module.f:(.text+0x3590): multiple definition of `struct_mp_invert_struct_' module.o:module.f:(.text+0x3590): first defined here module.o: In function `waves._': module.f:(.text+0x3640): multiple definition of `waves._' module.o:module.f:(.text+0x3640): first defined here module.o: In function `four._': module.f:(.text+0x3650): multiple definition of `four._' module.o:module.f:(.text+0x3650): first defined here module.o: In function `lmmod._': module.f:(.text+0x3660): multiple definition of `lmmod._' module.o:module.f:(.text+0x3660): first defined here module.o: In function `rspmod._': module.f:(.text+0x3670): multiple definition of `rspmod._' module.o:module.f:(.text+0x3670): first defined here module.o: In function `neiglistmod._': module.f:(.text+0x3680): multiple definition of `neiglistmod._' module.o:module.f:(.text+0x3680): first defined here module.o: In function `neiglistmod_mp_end_neiglistmod_': module.f:(.text+0x3690): multiple definition of `neiglistmod_mp_end_neiglistmod_' module.o:module.f:(.text+0x3690): first defined here module.o:(.data+0xf60): multiple definition of `neiglistmod_mp_neighlist_' module.o:(.data+0xf60): first defined here module.o:(.data+0xf00): multiple definition of `neiglistmod_mp_neighpos_' module.o:(.data+0xf00): first defined here module.o: In function `neiglistmod_mp_init_neiglistmod_': module.f:(.text+0x3730): multiple definition of `neiglistmod_mp_init_neiglistmod_' module.o:module.f:(.text+0x3730): first defined here module.o: In function `rspmod_mp_init_rspmod_': module.f:(.text+0x3880): multiple definition of `rspmod_mp_init_rspmod_' module.o:module.f:(.text+0x3880): first defined here module.o:(.data+0xea0): multiple definition of `rspmod_mp_rhoat_' module.o:(.data+0xea0): first defined here module.o:(.data+0xde0): multiple definition of `rspmod_mp_nptat_' module.o:(.data+0xde0): first defined here module.o:(.data+0xe40): multiple definition of `rspmod_mp_rat_' module.o:(.data+0xe40): first defined here module.o: In function `lmmod_mp_init_lmmod_': module.f:(.text+0x3b70): multiple definition of `lmmod_mp_init_lmmod_' module.o:module.f:(.text+0x3b70): first defined here module.o:(.data+0xd60): multiple definition of `lmmod_mp_lm_' module.o:(.data+0xd60): first defined here module.o:(.data+0xd00): multiple definition of `lmmod_mp_lmmax_' module.o:(.data+0xd00): first defined here module.o: In function `four_mp_init_four_': module.f:(.text+0x3ce0): multiple definition of `four_mp_init_four_' module.o:module.f:(.text+0x3ce0): first defined here module.o:(.data+0xca0): multiple definition of `four_mp_taup_' module.o:(.data+0xca0): first defined here module.o:(.data+0xbe0): multiple definition of `four_mp_stg_' module.o:(.data+0xbe0): first defined here module.o:(.data+0xc40): multiple definition of `four_mp_g_' module.o:(.data+0xc40): first defined here module.o: In function `struct_mp_init_struct_': module.f:(.text+0x3e80): multiple definition of `struct_mp_init_struct_' module.o:module.f:(.text+0x3e80): first defined here module.o:(.data+0x800): multiple definition of `struct_mp_aname_' module.o:(.data+0x800): first defined here module.o:(.data+0x7a0): multiple definition of `struct_mp_mult_' module.o:(.data+0x7a0): first defined here module.o:(.data+0x740): multiple definition of `struct_mp_jrj_' module.o:(.data+0x740): first defined here module.o:(.data+0xac0): multiple definition of `struct_mp_r0_' module.o:(.data+0xac0): first defined here module.o:(.data+0xa60): multiple definition of `struct_mp_dx_' module.o:(.data+0xa60): first defined here module.o:(.data+0xa00): multiple definition of `struct_mp_rmt_' module.o:(.data+0xa00): first defined here module.o:(.data+0x9a0): multiple definition of `struct_mp_zz_' module.o:(.data+0x9a0): first defined here module.o:(.data+0x920): multiple definition of `struct_mp_rotloc_' module.o:(.data+0x920): first defined here module.o:(.data+0x6e0): multiple definition of `struct_mp_iatnr_' module.o:(.data+0x6e0): first defined here module.o:(.data+0x680): multiple definition of `struct_mp_isplit_' module.o:(.data+0x680): first defined here module.o:(.data+0x8c0): multiple definition of `struct_mp_v_' module.o:(.data+0x8c0): first defined here module.o:(.bss+0x20): multiple definition of `struct_mp_pos_' module.o:(.bss+0x20): first defined here module.o:(.data+0x600): multiple definition of `struct_mp_iz_' module.o:(.data+0x600): first defined here module.o:(.data+0x860): multiple definition of `struct_mp_tau_' module.o:(.data+0x860): first defined here module.o:(.data+0x5a0): multiple definition of `struct_mp_inum_' module.o:(.data+0x5a0): first defined here module.o:(.data+0x520): multiple definition of `struct_mp_rotij_' module.o:(.data+0x520): first defined here module.o:(.data+0x4c0): multiple definition of `struct_mp_tauij_' module.o:(.data+0x4c0): first defined here module.o:(.data+0x460): multiple definition of `struct_mp_tinv_' module.o:(.data+0x460): first defined here module.o:(.bss+0x0): multiple definition of `param_mp_nkpt_' module.o:(.bss+0x0): first defined here module.o:(.bss+0x8): multiple definition of `param_mp_nsym_' module.o:(.bss+0x8): first defined here module.o:(.bss+0x10): multiple definition of `param_mp_nume_' module.o:(.bss+0x10): first defined here module.o:(.bss+0x18): multiple definition of `param_mp_nmat_' module.o:(.bss+0x18): first defined here module.o:(.bss+0x80): multiple definition of `waves_mp_absk_' module.o:(.bss+0x80): first defined here module.o:(.bss+0xe0): multiple definition of `waves_mp_kzz_' module.o:(.bss+0xe0): first defined here module.o:(.data+0xb20): multiple definition of `waves_mp_tauk_' module.o:(.data+0xb20): first defined here module.o:(.data+0xb80): multiple definition of `waves_mp_inst_' module.o:(.data+0xb80): first defined here make: *** [dstart] Error 1 Waiting for more suggestion. Regards: Bramha
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html