[lammps-users] installation problem of lammps2001.tar.gz

Hi All,

I want to install the lammps2001.tar.gz in my cluster. Low level makefile that are given with the software package is not suitable in our machine for the compilation. For that purpose I have made a makefile(Makefile.vishnu) and also I have modified the Makefile. In my cluster MPI libraries are come from LAM/MPI which is in built in RED HAT ENTERPRISE LINUX 4.0 and also I have installed MPICH2(mpich2-1.0.7) in my home directory. FFTW(fftw-2.1.5) also installed in my home directory. The C and fortran90 compiler are gcc and g95 respectively. I have modified the F90FLAGS and CCFLAGS with the the FFTW and LAM/MPI headers. LINKFLAGS also modified by the respective libraries of FFTW and LAM/MPI. After making the Makefile.vishnu, I have compiled this file by typing

$make vishnu

All object files are created successfully in Obj_vishnu. But during linking of the object files some mpi related problems are coming. Mainly comes from fft_3d. I have also installed the recent version of LAMMPS lammps-22May08 with LAM/MPI and fftw-2.1.5 and it is working fine. But why this is not working, I can’t understand. I had also tried this with the MPICH2 but no success came. Actually I am familiar with fortran program. That’s why I am interested to compile this version. I attach the Makefile.vishnu and Makefile (plz chk) and also giving the corresponding errors. please suggest me what is my wrong.

Here I am giving the paths where the LAM/MPI and FFTW are installed
headers:

LAM/MPI : /usr/include
MPICH2: /home/sudipta/LAMMPS/mpich2-1.0.7/mpich2-1.0.7-install/include
FFTW: /home/sudipta/LAMMPS/fftw-2.1.5-install/include

Libraries:
LAM/MPI: /usr/lib
MPICH2:/home/sudipta/LAMMPS/mpich2-1.0.7/mpich2-1.0.7-install/lib
FFTW: /home/sudipta/LAMMPS/fftw-2.1.5-install/lib

Thanks and regards
sudipta

ERROR

setup.o(.data+0x64): undefined reference to mpi_win_dup_fn__' setup.o(.data+0x68): undefined reference to mpi_wtick__’
setup.o(.data+0x6c): undefined reference to mpi_wtime__' setup.o(.data+0x70): undefined reference to mpi_win_null_delete_fn__’
setup.o(.data+0x74): undefined reference to mpi_type_null_delete_fn__' setup.o(.data+0x78): undefined reference to pmpi_wtick__’
setup.o(.data+0x7c): undefined reference to pmpi_wtime__' shake.o(.text+0x2ce1): In function shake_create__’:
: undefined reference to mpi_barrier__' shake.o(.text+0x3261): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x353c): In function shake_create__’:
: undefined reference to mpi_irecv__' shake.o(.text+0x35ce): In function shake_create__’:
: undefined reference to mpi_send__' shake.o(.text+0x3606): In function shake_create__’:
: undefined reference to mpi_wait__' shake.o(.text+0x3630): In function shake_create__’:
: undefined reference to mpi_get_count__' shake.o(.text+0x386e): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x39dc): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x3dd2): In function shake_create__’:
: undefined reference to mpi_irecv__' shake.o(.text+0x3e64): In function shake_create__’:
: undefined reference to mpi_send__' shake.o(.text+0x3e9c): In function shake_create__’:
: undefined reference to mpi_wait__' shake.o(.text+0x3ec6): In function shake_create__’:
: undefined reference to mpi_get_count__' shake.o(.text+0x3ff2): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x41ef): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x45c4): In function shake_create__’:
: undefined reference to mpi_irecv__' shake.o(.text+0x4658): In function shake_create__’:
: undefined reference to mpi_send__' shake.o(.text+0x468a): In function shake_create__’:
: undefined reference to mpi_wait__' shake.o(.text+0x46b4): In function shake_create__’:
: undefined reference to mpi_get_count__' shake.o(.text+0x4d40): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x50ea): In function shake_create__’:
: undefined reference to mpi_irecv__' shake.o(.text+0x517c): In function shake_create__’:
: undefined reference to mpi_send__' shake.o(.text+0x51b4): In function shake_create__’:
: undefined reference to mpi_wait__' shake.o(.text+0x51de): In function shake_create__’:
: undefined reference to mpi_get_count__' shake.o(.text+0x54ca): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x5728): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x58a5): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x5a2b): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x5bb0): In function shake_create__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x674a): In function shake_comm__’:
: undefined reference to mpi_irecv__' shake.o(.text+0x67c9): In function shake_comm__’:
: undefined reference to mpi_send__' shake.o(.text+0x67f5): In function shake_comm__’:
: undefined reference to mpi_wait__' shake.o(.text+0x73e8): In function shake_bond_stats__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x74a2): In function shake_bond_stats__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x7562): In function shake_bond_stats__’:
: undefined reference to mpi_allreduce__' shake.o(.text+0x761c): In function shake_bond_stats__’:
: undefined reference to mpi_allreduce__' shake.o(.data+0x0): undefined reference to mpi_comm_null_delete_fn__’
shake.o(.data+0x4): undefined reference to mpi_comm_null_copy_fn__' shake.o(.data+0x8): undefined reference to mpi_comm_dup_fn__’
shake.o(.data+0xc): undefined reference to mpi_dup_fn__' shake.o(.data+0x10): undefined reference to mpi_null_delete_fn__’
shake.o(.data+0x14): undefined reference to mpi_null_copy_fn__' shake.o(.data+0x18): undefined reference to mpi_type_dup_fn__’
shake.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__' shake.o(.data+0x20): undefined reference to mpi_win_null_copy_fn__’
shake.o(.data+0x24): undefined reference to mpi_win_null_delete_fn__' shake.o(.data+0x28): undefined reference to mpi_wtick__’
shake.o(.data+0x2c): undefined reference to mpi_win_dup_fn__' shake.o(.data+0x30): undefined reference to mpi_wtime__’
shake.o(.data+0x34): undefined reference to mpi_type_null_copy_fn__' shake.o(.data+0x38): undefined reference to pmpi_wtick__’
shake.o(.data+0x3c): undefined reference to pmpi_wtime__' shake.o(.data+0x40): undefined reference to mpi_comm_dup_fn__’
shake.o(.data+0x44): undefined reference to mpi_comm_null_delete_fn__' shake.o(.data+0x48): undefined reference to mpi_comm_null_copy_fn__’
shake.o(.data+0x4c): undefined reference to mpi_dup_fn__' shake.o(.data+0x50): undefined reference to mpi_null_delete_fn__’
shake.o(.data+0x54): undefined reference to mpi_null_copy_fn__' shake.o(.data+0x58): undefined reference to mpi_type_null_copy_fn__’
shake.o(.data+0x5c): undefined reference to mpi_type_dup_fn__' shake.o(.data+0x60): undefined reference to mpi_win_dup_fn__’
shake.o(.data+0x64): undefined reference to mpi_win_null_delete_fn__' shake.o(.data+0x68): undefined reference to mpi_wtick__’
shake.o(.data+0x6c): undefined reference to mpi_win_null_copy_fn__' shake.o(.data+0x70): undefined reference to mpi_wtime__’
shake.o(.data+0x74): undefined reference to mpi_type_null_delete_fn__' shake.o(.data+0x78): undefined reference to pmpi_wtime__’
shake.o(.data+0x7c): undefined reference to pmpi_wtick__' shake.o(.data+0x80): undefined reference to mpi_comm_null_copy_fn__’
shake.o(.data+0x84): undefined reference to mpi_comm_dup_fn__' shake.o(.data+0x88): undefined reference to mpi_comm_null_delete_fn__’
shake.o(.data+0x8c): undefined reference to mpi_dup_fn__' shake.o(.data+0x90): undefined reference to mpi_null_delete_fn__’
shake.o(.data+0x94): undefined reference to mpi_null_copy_fn__' shake.o(.data+0x98): undefined reference to mpi_type_dup_fn__’
shake.o(.data+0x9c): undefined reference to mpi_type_null_copy_fn__' shake.o(.data+0xa0): undefined reference to mpi_win_null_copy_fn__’
shake.o(.data+0xa4): undefined reference to mpi_wtime__' shake.o(.data+0xa8): undefined reference to mpi_wtick__’
shake.o(.data+0xac): undefined reference to mpi_win_null_delete_fn__' shake.o(.data+0xb0): undefined reference to mpi_win_dup_fn__’
shake.o(.data+0xb4): undefined reference to mpi_type_null_delete_fn__' shake.o(.data+0xb8): undefined reference to pmpi_wtick__’
shake.o(.data+0xbc): undefined reference to pmpi_wtime__' shake.o(.data+0xc0): undefined reference to mpi_comm_null_delete_fn__’
shake.o(.data+0xc4): undefined reference to mpi_comm_null_copy_fn__' shake.o(.data+0xc8): undefined reference to mpi_comm_dup_fn__’
shake.o(.data+0xcc): undefined reference to mpi_dup_fn__' shake.o(.data+0xd0): undefined reference to mpi_null_copy_fn__’
shake.o(.data+0xd4): undefined reference to mpi_type_null_delete_fn__' shake.o(.data+0xd8): undefined reference to mpi_type_null_copy_fn__’
shake.o(.data+0xdc): undefined reference to mpi_type_dup_fn__' shake.o(.data+0xe0): undefined reference to mpi_win_null_delete_fn__’
shake.o(.data+0xe4): undefined reference to mpi_win_null_copy_fn__' shake.o(.data+0xe8): undefined reference to mpi_win_dup_fn__’
shake.o(.data+0xec): undefined reference to mpi_wtick__' shake.o(.data+0xf0): undefined reference to mpi_wtime__’
shake.o(.data+0xf4): undefined reference to mpi_null_delete_fn__' shake.o(.data+0xf8): undefined reference to pmpi_wtick__’
shake.o(.data+0xfc): undefined reference to pmpi_wtime__' special.o(.text+0xf2): In function special_create__’:
: undefined reference to mpi_barrier__' special.o(.text+0x2c2): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x583): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x615): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x647): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x671): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x802): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0xc26): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0xf73): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x1005): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x103d): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x1067): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x1200): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x15d1): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x1663): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x1695): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x16bf): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x190d): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x1dba): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x1e4c): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x1e84): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x1eae): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x1fea): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x248a): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x2854): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x28e6): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x2918): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x2942): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x2bac): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x30a9): In function special_create__’:
: undefined reference to mpi_irecv__' special.o(.text+0x3129): In function special_create__’:
: undefined reference to mpi_send__' special.o(.text+0x315e): In function special_create__’:
: undefined reference to mpi_wait__' special.o(.text+0x317c): In function special_create__’:
: undefined reference to mpi_get_count__' special.o(.text+0x32a0): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x3af4): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.text+0x4130): In function special_create__’:
: undefined reference to mpi_allreduce__' special.o(.data+0x0): undefined reference to mpi_comm_dup_fn__’
special.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__' special.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__’
special.o(.data+0xc): undefined reference to mpi_dup_fn__' special.o(.data+0x10): undefined reference to mpi_null_copy_fn__’
special.o(.data+0x14): undefined reference to mpi_null_delete_fn__' special.o(.data+0x18): undefined reference to mpi_type_null_copy_fn__’
special.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__' special.o(.data+0x20): undefined reference to mpi_type_dup_fn__’
special.o(.data+0x24): undefined reference to mpi_win_null_delete_fn__' special.o(.data+0x28): undefined reference to mpi_win_null_copy_fn__’
special.o(.data+0x2c): undefined reference to mpi_win_dup_fn__' special.o(.data+0x30): undefined reference to mpi_wtick__’
special.o(.data+0x34): undefined reference to mpi_wtime__' special.o(.data+0x38): undefined reference to pmpi_wtick__’
special.o(.data+0x3c): undefined reference to pmpi_wtime__' start.o(.text+0x66c): In function start_’:
: undefined reference to mpi_allreduce__' start.o(.text+0xa65): In function start_’:
: undefined reference to mpi_allreduce__' start.o(.text+0xb3f): In function start_’:
: undefined reference to mpi_allreduce__' start.o(.text+0xe58): In function start_’:
: undefined reference to mpi_allreduce__' start.o(.text+0x128a): In function start_’:
: undefined reference to mpi_allreduce__' start.o(.text+0x1357): more undefined references to mpi_allreduce__’ follow
start.o(.data+0x0): undefined reference to mpi_comm_dup_fn__' start.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__’
start.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__' start.o(.data+0xc): undefined reference to mpi_dup_fn__’
start.o(.data+0x10): undefined reference to mpi_null_copy_fn__' start.o(.data+0x14): undefined reference to mpi_null_delete_fn__’
start.o(.data+0x18): undefined reference to mpi_type_null_copy_fn__' start.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__’
start.o(.data+0x20): undefined reference to mpi_type_dup_fn__' start.o(.data+0x24): undefined reference to mpi_win_null_delete_fn__’
start.o(.data+0x28): undefined reference to mpi_win_null_copy_fn__' start.o(.data+0x2c): undefined reference to mpi_win_dup_fn__’
start.o(.data+0x30): undefined reference to mpi_wtick__' start.o(.data+0x34): undefined reference to mpi_wtime__’
start.o(.data+0x38): undefined reference to pmpi_wtick__' start.o(.data+0x3c): undefined reference to pmpi_wtime__’
stats.o(.text+0xe9): In function stats_': : undefined reference to mpi_allreduce__’
stats.o(.text+0x13e): In function stats_': : undefined reference to mpi_allreduce__’
stats.o(.text+0x191): In function stats_': : undefined reference to mpi_allreduce__’
stats.o(.text+0x1e4): In function stats_': : undefined reference to mpi_allreduce__’
stats.o(.text+0x2e5): In function stats_': : undefined reference to mpi_allreduce__’
stats.o(.data+0x0): undefined reference to mpi_comm_dup_fn__' stats.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__’
stats.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__' stats.o(.data+0xc): undefined reference to mpi_dup_fn__’
stats.o(.data+0x10): undefined reference to mpi_null_delete_fn__' stats.o(.data+0x14): undefined reference to mpi_null_copy_fn__’
stats.o(.data+0x18): undefined reference to mpi_type_dup_fn__' stats.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__’
stats.o(.data+0x20): undefined reference to mpi_type_null_copy_fn__' stats.o(.data+0x24): undefined reference to mpi_win_null_copy_fn__’
stats.o(.data+0x28): undefined reference to mpi_win_dup_fn__' stats.o(.data+0x2c): undefined reference to mpi_wtick__’
stats.o(.data+0x30): undefined reference to mpi_win_null_delete_fn__' stats.o(.data+0x34): undefined reference to mpi_wtime__’
stats.o(.data+0x38): undefined reference to pmpi_wtick__' stats.o(.data+0x3c): undefined reference to pmpi_wtime__’
thermo.o(.text+0xa0): In function thermo_': : undefined reference to mpi_allreduce__’
thermo.o(.text+0x119): In function thermo_': : undefined reference to mpi_allreduce__’
thermo.o(.text+0x1a2): In function thermo_': : undefined reference to mpi_allreduce__’
thermo.o(.text+0x212): In function thermo_': : undefined reference to mpi_allreduce__’
thermo.o(.text+0x282): In function thermo_': : undefined reference to mpi_allreduce__’
thermo.o(.text+0x2f2): more undefined references to mpi_allreduce__' follow thermo.o(.text+0x968): In function thermo_’:
: undefined reference to mpi_wtime__' thermo.o(.text+0x2699): In function thermo_’:
: undefined reference to mpi_allreduce__' thermo.o(.text+0x28a0): In function temperature_’:
: undefined reference to mpi_allreduce__' thermo.o(.text+0x2b96): In function pressure_’:
: undefined reference to mpi_allreduce__' thermo.o(.data+0x0): undefined reference to mpi_comm_dup_fn__’
thermo.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__' thermo.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__’
thermo.o(.data+0xc): undefined reference to mpi_dup_fn__' thermo.o(.data+0x10): undefined reference to mpi_null_delete_fn__’
thermo.o(.data+0x14): undefined reference to mpi_null_copy_fn__' thermo.o(.data+0x18): undefined reference to mpi_type_dup_fn__’
thermo.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__' thermo.o(.data+0x20): undefined reference to mpi_type_null_copy_fn__’
thermo.o(.data+0x24): undefined reference to mpi_win_dup_fn__' thermo.o(.data+0x28): undefined reference to mpi_win_null_delete_fn__’
thermo.o(.data+0x2c): undefined reference to mpi_win_null_copy_fn__' thermo.o(.data+0x30): undefined reference to mpi_wtick__’
thermo.o(.data+0x34): undefined reference to pmpi_wtick__' thermo.o(.data+0x38): undefined reference to pmpi_wtime__’
thermo.o(.data+0x3c): undefined reference to mpi_comm_null_delete_fn__' thermo.o(.data+0x40): undefined reference to mpi_comm_null_copy_fn__’
thermo.o(.data+0x44): undefined reference to mpi_comm_dup_fn__' thermo.o(.data+0x48): undefined reference to mpi_dup_fn__’
thermo.o(.data+0x4c): undefined reference to mpi_null_delete_fn__' thermo.o(.data+0x50): undefined reference to mpi_null_copy_fn__’
thermo.o(.data+0x54): undefined reference to mpi_type_null_copy_fn__' thermo.o(.data+0x58): undefined reference to mpi_type_null_delete_fn__’
thermo.o(.data+0x5c): undefined reference to mpi_type_dup_fn__' thermo.o(.data+0x60): undefined reference to mpi_win_null_copy_fn__’
thermo.o(.data+0x64): undefined reference to mpi_win_dup_fn__' thermo.o(.data+0x68): undefined reference to mpi_win_null_delete_fn__’
thermo.o(.data+0x6c): undefined reference to mpi_wtime__' thermo.o(.data+0x70): undefined reference to mpi_wtick__’
thermo.o(.data+0x74): undefined reference to pmpi_wtime__' thermo.o(.data+0x78): undefined reference to pmpi_wtick__’
thermo.o(.data+0x7c): undefined reference to mpi_comm_null_delete_fn__' thermo.o(.data+0x80): undefined reference to mpi_comm_null_copy_fn__’
thermo.o(.data+0x84): undefined reference to mpi_comm_dup_fn__' thermo.o(.data+0x88): undefined reference to mpi_dup_fn__’
thermo.o(.data+0x8c): undefined reference to mpi_null_copy_fn__' thermo.o(.data+0x90): undefined reference to mpi_null_delete_fn__’
thermo.o(.data+0x94): undefined reference to mpi_type_dup_fn__' thermo.o(.data+0x98): undefined reference to mpi_win_dup_fn__’
thermo.o(.data+0x9c): undefined reference to mpi_win_null_copy_fn__' thermo.o(.data+0xa0): undefined reference to mpi_type_null_delete_fn__’
thermo.o(.data+0xa4): undefined reference to mpi_type_null_copy_fn__' thermo.o(.data+0xa8): undefined reference to mpi_wtick__’
thermo.o(.data+0xac): undefined reference to mpi_win_null_delete_fn__' thermo.o(.data+0xb0): undefined reference to mpi_wtime__’
thermo.o(.data+0xb4): undefined reference to pmpi_wtime__' thermo.o(.data+0xb8): undefined reference to pmpi_wtick__’
velocity.o(.text+0x2db): In function temp_create__': : undefined reference to mpi_allreduce__’
velocity.o(.text+0x339): In function temp_create__': : undefined reference to mpi_allreduce__’
velocity.o(.text+0x676): In function temp_create__': : undefined reference to mpi_allreduce__’
velocity.o(.text+0xd0e): In function momentum_zero__': : undefined reference to mpi_allreduce__’
velocity.o(.text+0x11a8): In function rotation_zero__': : undefined reference to mpi_allreduce__’
velocity.o(.data+0x0): undefined reference to mpi_comm_dup_fn__' velocity.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__’
velocity.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__' velocity.o(.data+0xc): undefined reference to mpi_dup_fn__’
velocity.o(.data+0x10): undefined reference to mpi_null_copy_fn__' velocity.o(.data+0x14): undefined reference to mpi_null_delete_fn__’
velocity.o(.data+0x18): undefined reference to mpi_type_null_copy_fn__' velocity.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__’
velocity.o(.data+0x20): undefined reference to mpi_type_dup_fn__' velocity.o(.data+0x24): undefined reference to mpi_win_null_delete_fn__’
velocity.o(.data+0x28): undefined reference to mpi_win_null_copy_fn__' velocity.o(.data+0x2c): undefined reference to mpi_win_dup_fn__’
velocity.o(.data+0x30): undefined reference to mpi_wtick__' velocity.o(.data+0x34): undefined reference to mpi_wtime__’
velocity.o(.data+0x38): undefined reference to pmpi_wtick__' velocity.o(.data+0x3c): undefined reference to pmpi_wtime__’
velocity.o(.data+0x40): undefined reference to mpi_comm_dup_fn__' velocity.o(.data+0x44): undefined reference to mpi_comm_null_copy_fn__’
velocity.o(.data+0x48): undefined reference to mpi_comm_null_delete_fn__' velocity.o(.data+0x4c): undefined reference to mpi_dup_fn__’
velocity.o(.data+0x50): undefined reference to mpi_null_delete_fn__' velocity.o(.data+0x54): undefined reference to mpi_null_copy_fn__’
velocity.o(.data+0x58): undefined reference to mpi_type_null_copy_fn__' velocity.o(.data+0x5c): undefined reference to mpi_type_dup_fn__’
velocity.o(.data+0x60): undefined reference to mpi_win_dup_fn__' velocity.o(.data+0x64): undefined reference to mpi_type_null_delete_fn__’
velocity.o(.data+0x68): undefined reference to mpi_wtime__' velocity.o(.data+0x6c): undefined reference to mpi_wtick__’
velocity.o(.data+0x70): undefined reference to mpi_win_null_delete_fn__' velocity.o(.data+0x74): undefined reference to mpi_win_null_copy_fn__’
velocity.o(.data+0x78): undefined reference to pmpi_wtick__' velocity.o(.data+0x7c): undefined reference to pmpi_wtime__’
velocity.o(.data+0x80): undefined reference to mpi_comm_null_copy_fn__' velocity.o(.data+0x84): undefined reference to mpi_comm_null_delete_fn__’
velocity.o(.data+0x88): undefined reference to mpi_comm_dup_fn__' velocity.o(.data+0x8c): undefined reference to mpi_dup_fn__’
velocity.o(.data+0x90): undefined reference to mpi_null_copy_fn__' velocity.o(.data+0x94): undefined reference to mpi_null_delete_fn__’
velocity.o(.data+0x98): undefined reference to mpi_type_dup_fn__' velocity.o(.data+0x9c): undefined reference to mpi_type_null_copy_fn__’
velocity.o(.data+0xa0): undefined reference to mpi_type_null_delete_fn__' velocity.o(.data+0xa4): undefined reference to mpi_win_null_copy_fn__’
velocity.o(.data+0xa8): undefined reference to mpi_win_dup_fn__' velocity.o(.data+0xac): undefined reference to mpi_win_null_delete_fn__’
velocity.o(.data+0xb0): undefined reference to mpi_wtime__' velocity.o(.data+0xb4): undefined reference to mpi_wtick__’
velocity.o(.data+0xb8): undefined reference to pmpi_wtick__' velocity.o(.data+0xbc): undefined reference to pmpi_wtime__’
write_restart.o(.text+0x52): In function write_restart__': : undefined reference to mpi_barrier__’
write_restart.o(.text+0x57): In function write_restart__': : undefined reference to mpi_wtime__’
write_restart.o(.text+0x2904): In function write_restart__': : undefined reference to mpi_allreduce__’
write_restart.o(.text+0x3100): In function write_restart__': : undefined reference to mpi_irecv__’
write_restart.o(.text+0x3161): In function write_restart__': : undefined reference to mpi_send__’
write_restart.o(.text+0x317d): In function write_restart__': : undefined reference to mpi_wait__’
write_restart.o(.text+0x36ed): In function write_restart__': : undefined reference to mpi_recv__’
write_restart.o(.text+0x3762): In function write_restart__': : undefined reference to mpi_rsend__’
write_restart.o(.text+0x382c): In function write_restart__': : undefined reference to mpi_barrier__’
write_restart.o(.text+0x3831): In function write_restart__': : undefined reference to mpi_wtime__’
write_restart.o(.data+0x0): undefined reference to mpi_comm_dup_fn__' write_restart.o(.data+0x4): undefined reference to mpi_comm_null_delete_fn__’
write_restart.o(.data+0x8): undefined reference to mpi_comm_null_copy_fn__' write_restart.o(.data+0xc): undefined reference to mpi_dup_fn__’
write_restart.o(.data+0x10): undefined reference to mpi_null_delete_fn__' write_restart.o(.data+0x14): undefined reference to mpi_null_copy_fn__’
write_restart.o(.data+0x18): undefined reference to mpi_type_dup_fn__' write_restart.o(.data+0x1c): undefined reference to mpi_type_null_delete_fn__’
write_restart.o(.data+0x20): undefined reference to mpi_type_null_copy_fn__' write_restart.o(.data+0x24): undefined reference to mpi_win_dup_fn__’
write_restart.o(.data+0x28): undefined reference to mpi_win_null_delete_fn__' write_restart.o(.data+0x2c): undefined reference to mpi_win_null_copy_fn__’
write_restart.o(.data+0x30): undefined reference to mpi_wtick__' write_restart.o(.data+0x34): undefined reference to pmpi_wtick__’
write_restart.o(.data+0x38): undefined reference to pmpi_wtime__' fft_3d.o(.text+0xb5): In function fft_3d_create_plan_’:
: undefined reference to MPI_Comm_rank' fft_3d.o(.text+0x29a): In function fft_3d_create_plan’:
: undefined reference to MPI_Comm_rank' fft_3d.o(.text+0x2ac): In function fft_3d_create_plan’:
: undefined reference to MPI_Comm_size' fft_3d.o(.text+0x32b): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_max' fft_3d.o(.text+0x330): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_int' fft_3d.o(.text+0x345): In function fft_3d_create_plan’:
: undefined reference to MPI_Allreduce' fft_3d.o(.text+0x5ab): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_max' fft_3d.o(.text+0x5b0): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_int' fft_3d.o(.text+0x5c5): In function fft_3d_create_plan’:
: undefined reference to MPI_Allreduce' fft_3d.o(.text+0x77a): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_max' fft_3d.o(.text+0x77f): In function fft_3d_create_plan’:
: undefined reference to lam_mpi_int' fft_3d.o(.text+0x794): In function fft_3d_create_plan’:
: undefined reference to MPI_Allreduce' fft_3d.o(.text+0xc9c): In function remap_3d_create_plan_’:
: undefined reference to MPI_Comm_rank' fft_3d.o(.text+0xd0c): In function remap_3d’:
: undefined reference to lam_mpi_double' fft_3d.o(.text+0xd21): In function remap_3d’:
: undefined reference to MPI_Irecv' fft_3d.o(.text+0xd6c): In function remap_3d’:
: undefined reference to lam_mpi_double' fft_3d.o(.text+0xd79): In function remap_3d’:
: undefined reference to MPI_Send' fft_3d.o(.text+0xe06): In function remap_3d’:
: undefined reference to MPI_Waitany' fft_3d.o(.text+0xe62): In function remap_3d_create_plan’:
: undefined reference to MPI_Comm_rank' fft_3d.o(.text+0xe74): In function remap_3d_create_plan’:
: undefined reference to MPI_Comm_size' fft_3d.o(.text+0xf67): In function remap_3d_create_plan’:
: undefined reference to lam_mpi_byte' fft_3d.o(.text+0xf74): In function remap_3d_create_plan’:
: undefined reference to lam_mpi_byte' fft_3d.o(.text+0xf7f): In function remap_3d_create_plan’:
: undefined reference to MPI_Allgather' fft_3d.o(.text+0x11a9): In function remap_3d_create_plan’:
: undefined reference to lam_mpi_byte' fft_3d.o(.text+0x11b6): In function remap_3d_create_plan’:
: undefined reference to lam_mpi_byte' fft_3d.o(.text+0x11c1): In function remap_3d_create_plan’:
: undefined reference to MPI_Allgather' fft_3d.o(.text+0x16fd): In function remap_3d_create_plan’:
: undefined reference to MPI_Comm_dup' fft_3d.o(.text+0x171a): In function remap_3d_destroy_plan’:
: undefined reference to `MPI_Comm_free’
make[1]: […/lmp_vishnu] Error 1 (ignored)
size: ‘…/lmp_vishnu’: No such f

Makefile (1.59 KB)

Makefile.vishnu (689 Bytes)

error (5.02 KB)

I haven't built LAMMPS 2001 (Fortran) in years. All the errors
I see are MPI - why do you think it is an FFTW issue? I would
see if you can build a simpile Fortran program (5 lines) on your
box with your MPI and FFTW and your compilers (which require
hooking Fortran to C for the FFTW wrappers in LAMMPS 2001),
before trying full-blown LAMMPS.

Steve