<DIV>Dear all,</DIV>
<DIV> </DIV>
<DIV>I still met some problems on compiling pwscf on AMD opteron64 using LAM-MPI and pgi.</DIV>
<DIV> </DIV>
<DIV>pgf90-Warning-Unknown switch: -pthread<BR>broadcast.o(.text+0x28): In function `broadcast_':<BR>: undefined reference to `mpi_barrier_'<BR>broadcast.o(.text+0x48): In function `broadcast_':<BR>: undefined reference to `mpi_bcast_'<BR>cgather_sym.o(.text+0xfa): In function `cgather_sym_':<BR>: undefined reference to `mpi_barrier_'<BR>cgather_sym.o(.text+0x13b): In function `cgather_sym_':<BR>: undefined reference to `mpi_allgatherv_'<BR>cgather_sym.o(.text+0x169): In function `cgather_sym_':<BR>: undefined reference to `mpi_barrier_'<BR>check.o(.text+0x180): In function `check_':<BR>: undefined reference to `mpi_barrier_'<BR>check.o(.text+0x1d2): In function `check_':<BR>: undefined reference to `mpi_allreduce_'<BR>check.o(.text+0x224): In function `check_':<BR>: undefined reference to `mpi_allreduce_'<BR>check.o(.text+0x446): In function `check_':<BR>: undefined reference to `mpi_bcast_'<BR>error.o(.text+0x2e4): In function `errore_':<BR>: undefined reference to
`mpi_abort_'<BR>fft_scatter.o(.text+0x43c): In function `fft_scatter1_':<BR>: undefined reference to `mpi_barrier_'<BR>fft_scatter.o(.text+0x484): In function `fft_scatter1_':<BR>: undefined reference to `mpi_alltoallv_'<BR>fft_scatter.o(.text+0x4bb): In function `fft_scatter1_':<BR>: undefined reference to `mpi_barrier_'<BR>fft_scatter.o(.text+0x503): In function `fft_scatter1_':<BR>: undefined reference to `mpi_alltoallv_'<BR>gather.o(.text+0xfa): In function `gather_':<BR>: undefined reference to `mpi_barrier_'<BR>gather.o(.text+0x144): In function `gather_':<BR>: undefined reference to `mpi_gatherv_'<BR>init_pool.o(.text+0x38): In function `init_pool_':<BR>: 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>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>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+0x165): In function `poolreduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>reduce.o(.text+0x44): In function `reduce_':<BR>: undefined reference to `mpi_barrier_'<BR>reduce.o(.text+0xc8): In function `reduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>reduce.o(.text+0x165): In function `reduce_':<BR>: undefined reference to
`mpi_allreduce_'<BR>reduce.o(.text+0x22c): In function `ireduce_':<BR>: undefined reference to `mpi_barrier_'<BR>reduce.o(.text+0x2b5): In function `ireduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>reduce.o(.text+0x382): In function `ireduce_':<BR>: undefined reference to `mpi_allreduce_'<BR>scatter.o(.text+0xfa): In function `scatter_':<BR>: undefined reference to `mpi_barrier_'<BR>scatter.o(.text+0x145): In function `scatter_':<BR>: undefined reference to `mpi_scatterv_'<BR>../Modules/fft_base.o(.text+0x36c0): In function `fft_base_fft_scatter_':<BR>: undefined reference to `mpi_barrier_'<BR>../Modules/fft_base.o(.text+0x3711): In function `fft_base_fft_scatter_':<BR>: undefined reference to `mpi_alltoallv_'<BR>../Modules/fft_base.o(.text+0x375b): In function `fft_base_fft_scatter_':<BR>: undefined reference to `mpi_barrier_'<BR>../Modules/fft_base.o(.text+0x37ac): In function `fft_base_fft_scatter_':<BR>: undefined reference to `mpi_alltoallv_'<BR>make[1]: ***
[memory.x] Error 2<BR></DIV>
<DIV>Here is the make.sys file I used at first,</DIV>
<DIV># Use the local copy of fftw</DIV>
<DIV>CPPFLAGS = -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>F90FLAGS = -w -fast -r8<BR>F77FLAGS = -w -fast -r8<BR>CCFLAGS = $(CPPFLAGS)<BR>#F90FLAGS = -w -fast -r8 -Msecond_underscore<BR>#F77FLAGS = -w -fast -r8 -Msecond_underscore<BR>#CCFLAGS = $(CPPFLAGS)<BR>#<BR>#<BR>MODULEFLAG= -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH</DIV>
<DIV>#<BR>#<BR>LIBS = -L/opt/pgi/linux86-64/5.2/lib $(OSHOME)/acml/libacml.a $(FFTW_LIB)<BR>#<BR>LD=$(F90)<BR>LDFLAGS = -lg2c -lpthread -lm $(OSHOME)/flib/ptools.a $(OSHOME)/flib/flib.a $(OSHOME)/clib/clib.a $(LIBS) $(MODULEFLAG)<BR></DIV>
<DIV>Then I made some changes in make.sys file. I just add Msecond_underscore option in the F90flags and F77flag.</DIV>
<DIV>F90FLAGS = -w -fast -r8 -Msecond_underscore<BR>F77FLAGS = -w -fast -r8 -Msecond_underscore<BR>the former problems disappeared, but the new problems is produced</DIV>
<DIV>input.o(.text+0x7857): In function `verify_tmpdir__':<BR>: undefined reference to `c_mkdir__'<BR>../Modules/berry_phase.o(.text+0x4b): In function `berry_phase_ln_setup__':<BR>: undefined reference to `ln_alloc__'<BR>../Modules/berry_phase.o(.text+0xa8): In function `berry_phase_ln_setup__':<BR>: undefined reference to `ln_set__'<BR>../Modules/berry_phase.o(.text+0xb7): In function `berry_phase_ln_setup__':<BR>: undefined reference to `ln_activate__'<BR>../Modules/berry_phase.o(.text+0xd5): In function `berry_phase_ln_closeup__':<BR>: undefined reference to `ln_dealloc__'<BR>../Modules/berry_phase.o(.text+0x11bb): In function `berry_phase_indi_of_ig__':<BR>: undefined reference to `ln_ind__'<BR>../Modules/berry_phase.o(.text+0x11f6): In function `berry_phase_indi_of_ig__':<BR>: undefined reference to `ln_ind__'<BR>../Modules/berry_phase.o(.text+0x1231): In function `berry_phase_indi_of_ig__':<BR>: undefined reference to `ln_ind__'<BR>../Modules/berry_phase.o(.text+0x1270): In
function `berry_phase_indi_of_ig__':<BR>: undefined reference to `ln_ind__'<BR>../Modules/berry_phase.o(.text+0x129f): In function `berry_phase_indi_of_ig__':<BR>: undefined reference to `ln_ind__'<BR>../Modules/berry_phase.o(.text+0x1303): more undefined references to `ln_ind__' follow<BR>../Modules/fft_scalar.o(.text+0x147): In function `fft_scalar_cft_1z__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x169): In function `fft_scalar_cft_1z__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x18f): In function `fft_scalar_cft_1z__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x1b5): In function `fft_scalar_cft_1z__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x252): In function `fft_scalar_cft_1z__':<BR>: undefined reference to `fft_z_stick__'<BR>../Modules/fft_scalar.o(.text+0x2bd): In function `fft_scalar_cft_1z__':<BR>: undefined
reference to `fft_z_stick__'<BR>../Modules/fft_scalar.o(.text+0x789): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x7ab): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x7d3): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x7fb): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x81d): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x83f): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x869): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x893): In function `fft_scalar_cft_2xy__':<BR>: undefined
reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x93c): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `fft_x_stick__'<BR>../Modules/fft_scalar.o(.text+0x9f4): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `fft_y_stick__'<BR>../Modules/fft_scalar.o(.text+0xb34): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `fft_y_stick__'<BR>../Modules/fft_scalar.o(.text+0xb8d): In function `fft_scalar_cft_2xy__':<BR>: undefined reference to `fft_x_stick__'<BR>../Modules/fft_scalar.o(.text+0xccf): In function `fft_scalar_cfft3d_':<BR>: undefined reference to `destroy_plan_3d__'<BR>../Modules/fft_scalar.o(.text+0xcee): In function `fft_scalar_cfft3d_':<BR>: undefined reference to `destroy_plan_3d__'<BR>../Modules/fft_scalar.o(.text+0xd16): In function `fft_scalar_cfft3d_':<BR>: undefined reference to `create_plan_3d__'<BR>../Modules/fft_scalar.o(.text+0xd3e): In function `fft_scalar_cfft3d_':<BR>: undefined reference to
`create_plan_3d__'<BR>../Modules/fft_scalar.o(.text+0xdbf): In function `fft_scalar_cfft3d_':<BR>: undefined reference to `fftw_inplace_drv_3d__'<BR>../Modules/fft_scalar.o(.text+0xe44): In function `fft_scalar_cfft3d_':<BR>: undefined reference to `fftw_inplace_drv_3d__'<BR>../Modules/fft_scalar.o(.text+0xff9): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x101b): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x103d): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x105f): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x1081): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x10a3): more undefined references to `destroy_plan_1d__'
follow<BR>../Modules/fft_scalar.o(.text+0x10d0): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x10fd): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x112a): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x1157): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x1181): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x11ab): more undefined references to `create_plan_1d__' follow<BR>../Modules/fft_scalar.o(.text+0x130d): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x13dd): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to
`fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x1445): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x14a6): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x153d): In function `fft_scalar_cfft3ds_':<BR>: undefined reference to `fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x163d): more undefined references to `fftw_inplace_drv_1d__' follow<BR>../Modules/fft_scalar.o(.text+0x1864): In function `fft_scalar_cft_b__':<BR>: undefined reference to `destroy_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x1880): In function `fft_scalar_cft_b__':<BR>: undefined reference to `create_plan_1d__'<BR>../Modules/fft_scalar.o(.text+0x189f): In function `fft_scalar_cft_b__':<BR>: undefined reference to `destroy_plan_2d__'<BR>../Modules/fft_scalar.o(.text+0x18be): In function `fft_scalar_cft_b__':<BR>: undefined reference to
`create_plan_2d__'<BR>../Modules/fft_scalar.o(.text+0x195d): In function `fft_scalar_cft_b__':<BR>: undefined reference to `fftw_inplace_drv_1d__'<BR>../Modules/fft_scalar.o(.text+0x199f): In function `fft_scalar_cft_b__':<BR>: undefined reference to `fftw_inplace_drv_2d__'<BR></DIV>
<DIV>Could anybody telll me what is wrong with it? Any comments are highly appreciated. Many thanks!</DIV>
<DIV> </DIV>
<DIV>Regards,</DIV>
<DIV>Adrain</DIV>
<DIV> </DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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