<DIV>Dear all,</DIV>
<DIV> </DIV>
<DIV>Many thanks to <EM>Axel and Nicola .</EM> The former problem has been solved. But I met the following new problems at linking stages. </DIV>
<DIV>.....</DIV>
<DIV>.....</DIV>
<DIV>: undefined reference to `mpi_barrier_'<BR>init_pool.o(.text+0x74): In function `init_pool_':<BR>: undefined reference to `mpi_comm_split_'<BR>init_pool.o(.text+0xaf): In function `init_pool_':<BR>: undefined reference to `mpi_barrier_'<BR>init_pool.o(.text+0xeb): In function `init_pool_':<BR>: undefined reference to `mpi_comm_split_'<BR>init_us_1.o(.text+0x2783): In function `init_us_1_':<BR>: undefined reference to `dscal__'<BR>interpolate.o(.text+0x2087): In function `cinterpolate_':<BR>: undefined reference to `zcopy__'<BR>interpolate.o(.text+0x2617): In function `cinterpolate_':<BR>: undefined reference to `zcopy__'<BR>invmat.o(.text+0x57): In function `invmat_':<BR>: undefined reference to `dcopy__'<BR>invmat.o(.text+0x75): In function `invmat_':<BR>: undefined reference to `dgetrf__'<BR>invmat.o(.text+0xcf): In function `invmat_':<BR>: undefined reference to `dgetri__'<BR>irrek.o(.text+0xee4): In function `irrek_':<BR>: undefined reference to
`dscal__'<BR>maximum.o(.text+0x17): In function `extreme_':<BR>: undefined reference to `mpi_barrier_'<BR>maximum.o(.text+0x49): In function `extreme_':<BR>: undefined reference to `mpi_allreduce_'<BR>maximum.o(.text+0x78): In function `extreme_':<BR>: undefined reference to `mpi_allreduce_'<BR>mix_pot.o(.text+0x243): In function `mix_potential_':<BR>: undefined reference to `dnrm2__'<BR>mix_pot.o(.text+0xcd5): In function `mix_potential_':<BR>: undefined reference to `dnrm2__'<BR>mix_pot.o(.text+0xd50): In function `mix_potential_':<BR>: undefined reference to `dscal__'<BR>mix_pot.o(.text+0xd9f): In function `mix_potential_':<BR>: undefined reference to `dscal__'<BR>mix_pot.o(.text+0xf9f): In function `mix_potential_':<BR>: undefined reference to `dcopy__'<BR>mix_pot.o(.text+0x1098): In function `mix_potential_':<BR>: undefined reference to `ddot__'<BR>mix_pot.o(.text+0x119b): In function `mix_potential_':<BR>: undefined reference to `dsytrf__'<BR>mix_pot.o(.text+0x11f9): In
function `mix_potential_':<BR>: undefined reference to `dsytri__'<BR>mix_pot.o(.text+0x1606): In function `mix_potential_':<BR>: undefined reference to `ddot__'<BR>mix_pot.o(.text+0x1b94): In function `mix_potential_':<BR>: undefined reference to `dcopy__'<BR>mix_pot.o(.text+0x1bcd): In function `mix_potential_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x2866): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x2e20): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x308d): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x30ec): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x3174): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x31ed): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x376a): In function `mix_rho_':<BR>: undefined reference to
`dcopy__'<BR>mix_rho.o(.text+0x37a8): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x37fe): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x3845): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x39b7): In function `mix_rho_':<BR>: undefined reference to `dsytrf__'<BR>mix_rho.o(.text+0x3a15): In function `mix_rho_':<BR>: undefined reference to `dsytri__'<BR>mix_rho.o(.text+0x4058): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x40d3): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x4170): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x41f9): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x43eb): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x445e): In function `mix_rho_':<BR>: undefined reference to
`dcopy__'<BR>mix_rho.o(.text+0x450d): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x4565): In function `mix_rho_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x4640): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x4ba0): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x4c12): In function `mix_rho_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x7630): In function `approx_screening2_':<BR>: undefined reference to `dscal__'<BR>mix_rho.o(.text+0x906a): In function `approx_screening2_':<BR>: undefined reference to `dcopy__'<BR>mix_rho.o(.text+0x90af): In function `approx_screening2_':<BR>: undefined reference to `dsytrf__'<BR>mix_rho.o(.text+0x910d): In function `approx_screening2_':<BR>: undefined reference to `dsytri__'<BR>mix_rho.o(.text+0x9a4b): In function `approx_screening2_':<BR>: undefined reference to `daxpy__'<BR>mix_rho.o(.text+0x9ac1): In
function `approx_screening2_':<BR>: undefined reference to `daxpy__'<BR>move_ions.o(.text+0x1a6a): In function `new_force_':<BR>: undefined reference to `ddot__'<BR>move_ions.o(.text+0x1aae): In function `new_force_':<BR>: undefined reference to `daxpy__'<BR>move_ions.o(.text+0x1ada): In function `new_force_':<BR>: undefined reference to `ddot__'<BR>move_ions.o(.text+0x1b68): In function `new_force_':<BR>: undefined reference to `ddot__'<BR>move_ions.o(.text+0x22a9): In function `check_constrain_':<BR>: undefined reference to `daxpy__'<BR>new_ns.o(.text+0xd65): In function `new_ns_':<BR>: undefined reference to `ddot__'<BR>new_ns.o(.text+0xebc): In function `new_ns_':<BR>: undefined reference to `zdotc__'<BR>newd.o(.text+0x13a1): In function `newd_':<BR>: undefined reference to `ddot__'<BR>poolbcast.o(.text+0x28): In function `poolbcast_':<BR>: undefined reference to `mpi_barrier_'<BR>poolbcast.o(.text+0x48): In function `poolbcast_':<BR>: undefined reference to
`mpi_bcast_'<BR>poolextreme.o(.text+0x24): In function `poolextreme_':<BR>: undefined reference to `mpi_barrier_'<BR>poolextreme.o(.text+0x75): In function `poolextreme_':<BR>: undefined reference to `mpi_allreduce_'<BR>poolextreme.o(.text+0xc8): In function `poolextreme_':<BR>: undefined reference to `mpi_allreduce_'<BR>poolrecover.o(.text+0x95): In function `poolrecover_':<BR>: undefined reference to `mpi_barrier_'<BR>poolrecover.o(.text+0xe1): In function `poolrecover_':<BR>: undefined reference to `mpi_send_'<BR>poolrecover.o(.text+0x1de): In function `poolrecover_':<BR>: undefined reference to `mpi_recv_'<BR>poolrecover.o(.text+0x2c5): In function `ipoolrecover_':<BR>: undefined reference to `mpi_barrier_'<BR>poolrecover.o(.text+0x311): In function `ipoolrecover_':<BR>: undefined reference to `mpi_send_'<BR>poolrecover.o(.text+0x40e): In function `ipoolrecover_':<BR>: undefined reference to `mpi_recv_'<BR>poolreduce.o(.text+0x4d): In function `poolreduce_':<BR>: undefined
reference to `mpi_barrier_'<BR>poolreduce.o(.text+0xc8): In function `poolreduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>poolreduce.o(.text+0x104): In function `poolreduce_':<BR>: undefined reference to `dcopy__'<BR>poolreduce.o(.text+0x165): In function `poolreduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>poolreduce.o(.text+0x1c1): In function `poolreduce_':<BR>: undefined reference to `dcopy__'<BR>poolscatter.o(.text+0xbc): In function `poolscatter_':<BR>: undefined reference to `dcopy__'<BR>potinit.o(.text+0xb5e): In function `potinit_':<BR>: undefined reference to `dcopy__'<BR>potinit.o(.text+0xcb9): In function `potinit_':<BR>: undefined reference to `dcopy__'<BR>potinit.o(.text+0xde5): In function `potinit_':<BR>: undefined reference to `daxpy__'<BR>pw_gemm.o(.text+0x100): In function `pw_gemm_':<BR>: undefined reference to `dgemm__'<BR>pw_gemm.o(.text+0x151): In function `pw_gemm_':<BR>: undefined reference to `dger__'<BR>rdiaghg.o(.text+0x134): In
function `rdiaghg_':<BR>: undefined reference to `ilaenv__'<BR>rdiaghg.o(.text+0x503): In function `rdiaghg_':<BR>: undefined reference to `dcopy__'<BR></DIV>
<DIV>Apparently, it is due to underscore. Could anybody tell me how to remove it by just adding some options. Here is the makefile</DIV>
<DIV># Use the local copy of fftw</DIV>
<DIV>CPPFLAGS = -DADD_BLAS_ONE_UNDERSCORE -D__LINUX64 -D__PGI -D__PARA -D_MPI -D_LAM -D__FFTW -D__USE_INTERNAL_FFTW \<BR> -I$(OSHOME)/include -I./</DIV>
<DIV>#<BR># Fortran compiler:<BR>F90 =mpif90<BR>F77 =mpif77<BR>CC =mpicc<BR>#<BR># Please note: -r8 is necessary for numerical stability ..<BR>#<BR>F90FLAGS = -fast -r8<BR>F77FLAGS = -fast -r8<BR>CCFLAGS = $(CPPFLAGS)<BR>#<BR># This is needed to tell the compiler where modules are<BR>#<BR>MODULEFLAG= -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH</DIV>
<DIV>#<BR># Loader:<BR># this below uses precompiled pgi libraries ( not very efficient but stable )<BR>#<BR>LIBS = -L/opt/pgi/linux86-64/5.2/lib -llapack -lblas $(FFTW_LIB)<BR>#<BR># for cineca machines:<BR>#<BR>#LIBS = -L/usr/local/pgi/linux86/lib/ -llapack -L/cineca/lib/ATLAS -lf77blas -latlas $(FFTW_LIB)<BR>#<BR>LD=$(F90)<BR>LDFLAGS = $(OSHOME)/flib/ptools.a $(OSHOME)/flib/flib.a $(OSHOME)/clib/clib.a $(LIBS) $(MODULEFLAG)</DIV>
<DIV> </DIV>
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