The problem is it doesn't work when I following the normal procedure.
I've built Lammps again and again. It seemed the error occurs when the building process reaches the final command: write_restart
Let me attach the error again.
mpiCC -O -I//home/lyang/fftw2.1.5/include -I../../lib/atc -I../../lib/meam -I../../lib/reax -I../../lib/poems -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c variable.cpp
mpiCC -O -I//home/lyang/fftw2.1.5/include -I../../lib/atc -I../../lib/meam -I../../lib/reax -I../../lib/poems -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c velocity.cpp
mpiCC -O -I//home/lyang/fftw2.1.5/include -I../../lib/atc -I../../lib/meam -I../../lib/reax -I../../lib/poems -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c verlet.cpp
mpiCC -O -I//home/lyang/fftw2.1.5/include -I../../lib/atc -I../../lib/meam -I../../lib/reax -I../../lib/poems -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c write_restart.cpp
mpiCC -O -L/home/lyang/fftw2.1.5/lib -L../../lib/atc -L../../lib/meam -L../../lib/reax -L../../lib/poems -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK angle_charmm.o angle_cosine.o angle_cosine_delta.o angle_cosine_squared.o angle.o angle_harmonic.o angle_hybrid.o angle_table.o atom.o atom_vec_angle.o atom_vec_atomic.o atom_vec_bond.o atom_vec_charge.o atom_vec.o atom_vec_full.o atom_vec_hybrid.o atom_vec_molecular.o bond.o bond_fene.o bond_fene_expand.o bond_harmonic.o bond_hybrid.o bond_morse.o bond_nonlinear.o bond_quartic.o bond_table.o change_box.o comm.o compute_angle_local.o compute_bond_local.o compute_centro_atom.o compute_cna_atom.o compute_com.o compute_com_molecule.o compute_coord_atom.o compute.o compute_dihedral_local.o compute_displace_atom.o compute_erotate_sphere.o compute_group_group.o compute_gyration.o compute_gyration_molecule.o compute_heat_flux.o compute_improper_local.o compute_ke_atom.o compute_ke.o compute_msd.o compute_msd_molecule.o compute_pair_local.o compute_pe_atom.o compute_pe.o compute_pressure.o compute_property_atom.o compute_property_local.o compute_property_molecule.o compute_rdf.o compute_reduce.o compute_reduce_region.o compute_stress_atom.o compute_temp_com.o compute_temp.o compute_temp_deform.o compute_temp_partial.o compute_temp_profile.o compute_temp_ramp.o compute_temp_region.o compute_temp_sphere.o create_atoms.o create_box.o delete_atoms.o delete_bonds.o dihedral_charmm.o dihedral.o dihedral_harmonic.o dihedral_helix.o dihedral_hybrid.o dihedral_multi_harmonic.o dihedral_opls.o displace_atoms.o displace_box.o domain.o dump_atom.o dump_cfg.o dump.o dump_custom.o dump_dcd.o dump_local.o dump_xyz.o error.o ewald.o fft3d.o fft3d_wrap.o finish.o fix_addforce.o fix_atc.o fix_ave_atom.o fix_aveforce.o fix_ave_histo.o fix_ave_spatial.o fix_ave_time.o fix_bond_break.o fix_bond_create.o fix_bond_swap.o fix_box_relax.o fix.o fix_deform.o fix_deposit.o fix_drag.o fix_dt_reset.o fix_efield.o fix_enforce2d.o fix_evaporate.o fix_gravity.o fix_heat.o fix_indent.o fix_langevin.o fix_lineforce.o fix_minimize.o fix_momentum.o fix_move.o fix_nph.o fix_npt.o fix_npt_sphere.o fix_nve.o fix_nve_limit.o fix_nve_noforce.o fix_nve_sphere.o fix_nvt.o fix_nvt_sllod.o fix_nvt_sphere.o fix_orient_fcc.o fix_planeforce.o fix_poems.o fix_press_berendsen.o fix_print.o fix_reax_bonds.o fix_recenter.o fix_respa.o fix_rigid.o fix_set_force.o fix_shake.o fix_shear_history.o fix_spring.o fix_spring_rg.o fix_spring_self.o fix_store_coord.o fix_store_force.o fix_temp_berendsen.o fix_temp_rescale.o fix_thermal_conductivity.o fix_tmd.o fix_ttm.o fix_viscosity.o fix_viscous.o fix_wall.o fix_wall_harmonic.o fix_wall_lj126.o fix_wall_lj93.o fix_wall_reflect.o fix_wall_region.o force.o group.o improper.o improper_cvff.o improper_harmonic.o improper_hybrid.o input.o integrate.o kspace.o lammps.o lattice.o library.o main.o memory.o min_cg.o min.o min_hftn.o minimize.o min_linesearch.o min_sd.o modify.o neigh_bond.o neighbor.o neigh_derive.o neigh_full.o neigh_gran.o neigh_half_bin.o neigh_half_multi.o neigh_half_nsq.o neigh_list.o neigh_request.o neigh_respa.o neigh_stencil.o output.o pack.o pair_airebo.o pair_born_coul_long.o pair_buck_coul_cut.o pair_buck_coul_long.o pair_buck.o pair_coul_cut.o pair_coul_debye.o pair_coul_long.o pair.o pair_dpd.o pair_eam_alloy.o pair_eam.o pair_eam_fs.o pair_hybrid.o pair_hybrid_overlay.o pair_lj96_cut.o pair_lj_charmm_coul_charmm.o pair_lj_charmm_coul_charmm_implicit.o pair_lj_charmm_coul_long.o pair_lj_cut_coul_cut.o pair_lj_cut_coul_debye.o pair_lj_cut_coul_long.o pair_lj_cut_coul_long_tip4p.o pair_lj_cut.o pair_lj_expand.o pair_lj_gromacs_coul_gromacs.o pair_lj_gromacs.o pair_lj_smooth.o pair_meam.o pair_morse.o pair_reax.o pair_soft.o pair_sw.o pair_table.o pair_tersoff.o pair_tersoff_zbl.o pair_yukawa.o pppm.o pppm_tip4p.o random_mars.o random_park.o read_data.o read_restart.o region_block.o region_cone.o region.o region_cylinder.o region_intersect.o region_plane.o region_prism.o region_sphere.o region_union.o remap.o remap_wrap.o replicate.o respa.o run.o set.o shell.o special.o temper.o thermo.o timer.o universe.o update.o variable.o velocity.o verlet.o write_restart.o -o ../lmp_lewis
/share/apps/intel/Compiler/11.1/046/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail
fft3d.o(.text+0x6b): In function `fft_3d(fftw_complex*, fftw_complex*, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0xc8): In function `fft_3d(fftw_complex*, fftw_complex*, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x125): In function `fft_3d(fftw_complex*, fftw_complex*, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1c9): In function `fft_3d(fftw_complex*, fftw_complex*, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1eb): In function `fft_3d(fftw_complex*, fftw_complex*, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x20d): more undefined references to `fftw' follow
fft3d.o(.text+0xab2): In function `fft_3d_create_plan(ompi_communicator_t*, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int*)':
: undefined reference to `fftw_create_plan'
fft3d.o(.text+0xac8): In function `fft_3d_create_plan(ompi_communicator_t*, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int*)':
: undefined reference to `fftw_create_plan'
fft3d.o(.text+0xaf4): In function `fft_3d_create_plan(ompi_communicator_t*, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int*)':
: undefined reference to `fftw_create_plan'
fft3d.o(.text+0xb0a): In function `fft_3d_create_plan(ompi_communicator_t*, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int*)':
: undefined reference to `fftw_create_plan'
fft3d.o(.text+0xb67): In function `fft_3d_create_plan(ompi_communicator_t*, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int, int*)':
: undefined reference to `fftw_create_plan'
fft3d.o(.text+0xb84): more undefined references to `fftw_create_plan' follow
fft3d.o(.text+0xd3f): In function `fft_3d_destroy_plan(fft_plan_3d*)':
: undefined reference to `fftw_destroy_plan'
fft3d.o(.text+0xd4c): In function `fft_3d_destroy_plan(fft_plan_3d*)':
: undefined reference to `fftw_destroy_plan'
fft3d.o(.text+0xd63): In function `fft_3d_destroy_plan(fft_plan_3d*)':
: undefined reference to `fftw_destroy_plan'
fft3d.o(.text+0xd70): In function `fft_3d_destroy_plan(fft_plan_3d*)':
: undefined reference to `fftw_destroy_plan'
fft3d.o(.text+0xd7d): In function `fft_3d_destroy_plan(fft_plan_3d*)':
: undefined reference to `fftw_destroy_plan'
fft3d.o(.text+0xd87): more undefined references to `fftw_destroy_plan' follow
fft3d.o(.text+0x1005): In function `fft_1d_only(fftw_complex*, int, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1039): In function `fft_1d_only(fftw_complex*, int, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1063): In function `fft_1d_only(fftw_complex*, int, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1101): In function `fft_1d_only(fftw_complex*, int, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x112f): In function `fft_1d_only(fftw_complex*, int, int, fft_plan_3d*)':
: undefined reference to `fftw'
fft3d.o(.text+0x1156): more undefined references to `fftw' follow
fix_atc.o(.text+0x6e): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::LammpsInterface::instance()'
fix_atc.o(.text+0x86): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::LammpsInterface::instance()'
fix_atc.o(.text+0x19c): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferHardy::ATC_TransferHardy(std::string, std::string)'
fix_atc.o(.text+0x2bc): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferHardy::ATC_TransferHardy(std::string, std::string)'
fix_atc.o(.text+0x43c): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferThermal::ATC_TransferThermal(std::string, std::string, ATC::ExtrinsicModelType)'
fix_atc.o(.text+0x542): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferThermal::ATC_TransferThermal(std::string, std::string, ATC::ExtrinsicModelType)'
fix_atc.o(.text+0x9ac): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::LammpsInterface::instance()'
fix_atc.o(.text+0x9c4): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::LammpsInterface::instance()'
fix_atc.o(.text+0xada): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferHardy::ATC_TransferHardy(std::string, std::string)'
fix_atc.o(.text+0xbf5): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferHardy::ATC_TransferHardy(std::string, std::string)'
fix_atc.o(.text+0xd70): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferThermal::ATC_TransferThermal(std::string, std::string, ATC::ExtrinsicModelType)'
fix_atc.o(.text+0xe71): In function `LAMMPS_NS::FixATC::FixATC(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `ATC::ATC_TransferThermal::ATC_TransferThermal(std::string, std::string, ATC::ExtrinsicModelType)'
fix_atc.o(.text+0x18c9): In function `LAMMPS_NS::FixATC::memory_usage()':
: undefined reference to `ATC::ATC_Transfer::memory_usage()'
fix_atc.o(.text+0x18e9): In function `LAMMPS_NS::FixATC::grow_arrays(int)':
: undefined reference to `ATC::ATC_Transfer::grow_arrays(int)'
fix_atc.o(.text+0x18f9): In function `LAMMPS_NS::FixATC::copy_arrays(int, int)':
: undefined reference to `ATC::ATC_Transfer::copy_arrays(int, int)'
fix_atc.o(.text+0x1909): In function `LAMMPS_NS::FixATC::pack_exchange(int, double*)':
: undefined reference to `ATC::ATC_Transfer::pack_exchange(int, double*)'
fix_atc.o(.text+0x1919): In function `LAMMPS_NS::FixATC::unpack_exchange(int, double*)':
: undefined reference to `ATC::ATC_Transfer::unpack_exchange(int, double*)'
fix_atc.o(.text+0x1929): In function `LAMMPS_NS::FixATC::pack_comm(int, int*, double*, int, int*)':
: undefined reference to `ATC::ATC_Transfer::pack_comm(int, int*, double*, int, int*)'
fix_atc.o(.text+0x1939): In function `LAMMPS_NS::FixATC::unpack_comm(int, int, double*)':
: undefined reference to `ATC::ATC_Transfer::unpack_comm(int, int, double*)'
fix_atc.o(.gnu.linkonce.t._ZN9LAMMPS_NS6FixATC9init_listEiPNS_9NeighListE[.gnu.linkonce.t._ZN9LAMMPS_NS6FixATC9init_listEiPNS_9NeighListE]+0x9): In function `LAMMPS_NS::FixATC::init_list(int, LAMMPS_NS::NeighList*)':
: undefined reference to `ATC::LammpsInterface::instance()'
fix_atc.o(.gnu.linkonce.t._ZN9LAMMPS_NS6FixATC9init_listEiPNS_9NeighListE[.gnu.linkonce.t._ZN9LAMMPS_NS6FixATC9init_listEiPNS_9NeighListE]+0x16): In function `LAMMPS_NS::FixATC::init_list(int, LAMMPS_NS::NeighList*)':
: undefined reference to `ATC::LammpsInterface::init_list(int, LAMMPS_NS::NeighList*)'
fix_poems.o(.text+0xb75): In function `LAMMPS_NS::FixPOEMS::FixPOEMS(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `Workspace::Workspace()'
fix_poems.o(.text+0x2c35): In function `LAMMPS_NS::FixPOEMS::FixPOEMS(LAMMPS_NS::LAMMPS*, int, char**)':
: undefined reference to `Workspace::Workspace()'
fix_poems.o(.text+0x34ba): In function `LAMMPS_NS::FixPOEMS::~FixPOEMS()':
: undefined reference to `Workspace::~Workspace()'
fix_poems.o(.text+0x36e1): In function `LAMMPS_NS::FixPOEMS::~FixPOEMS()':
: undefined reference to `Workspace::~Workspace()'
fix_poems.o(.text+0x3911): In function `LAMMPS_NS::FixPOEMS::~FixPOEMS()':
: undefined reference to `Workspace::~Workspace()'
fix_poems.o(.text+0x4626): In function `LAMMPS_NS::FixPOEMS::setup(int)':
: undefined reference to `Workspace::MakeSystem(int&, double*&, double**&, double**&, double**&, double**&, double**&, double**&, double**&, int&, int**&, double**&, int&, int*, double, double, double, double)'
fix_poems.o(.text+0x4a2f): In function `LAMMPS_NS::FixPOEMS::final_integrate()':
: undefined reference to `Workspace::LobattoTwo(double**&, double**&, double**&, double**&)'
fix_poems.o(.text+0x7476): In function `LAMMPS_NS::FixPOEMS::initial_integrate(int)':
: undefined reference to `Workspace::LobattoOne(double**&, double**&, double**&, double**&, double**&, double**&, double**&, double**&)'
fix_reax_bonds.o(.text+0x4c7): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `getnsbmax_'
fix_reax_bonds.o(.text+0x4d4): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `getcutof3_'
fix_reax_bonds.o(.text+0x64c): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0x659): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0x6a2): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0x6b7): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkc_'
fix_reax_bonds.o(.text+0x6ce): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0x6f1): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbknubon2_'
fix_reax_bonds.o(.text+0x6f9): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkbo_'
fix_reax_bonds.o(.text+0x714): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbkabo_'
fix_reax_bonds.o(.text+0x720): In function `LAMMPS_NS::FixReaxBonds::end_of_step()':
: undefined reference to `cbklonpar_'
fix_reax_bonds.o(.text+0xc56): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `getnsbmax_'
fix_reax_bonds.o(.text+0xc63): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `getcutof3_'
fix_reax_bonds.o(.text+0xdda): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0xde7): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0xe30): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0xe45): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkc_'
fix_reax_bonds.o(.text+0xe5c): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkia_'
fix_reax_bonds.o(.text+0xe80): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbknubon2_'
fix_reax_bonds.o(.text+0xe88): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkbo_'
fix_reax_bonds.o(.text+0xea3): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbkabo_'
fix_reax_bonds.o(.text+0xeaf): In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)':
: undefined reference to `cbklonpar_'
pair_meam.o(.text+0x28f): In function `LAMMPS_NS::PairMEAM::~PairMEAM()':
: undefined reference to `meam_cleanup_'
pair_meam.o(.text+0x5bf): In function `LAMMPS_NS::PairMEAM::~PairMEAM()':
: undefined reference to `meam_cleanup_'
pair_meam.o(.text+0x8ff): In function `LAMMPS_NS::PairMEAM::~PairMEAM()':
: undefined reference to `meam_cleanup_'
pair_meam.o(.text+0x165c): In function `LAMMPS_NS::PairMEAM::compute(int, int)':
: undefined reference to `meam_dens_init_'
pair_meam.o(.text+0x1831): In function `LAMMPS_NS::PairMEAM::compute(int, int)':
: undefined reference to `meam_dens_final_'
pair_meam.o(.text+0x1ae0): In function `LAMMPS_NS::PairMEAM::compute(int, int)':
: undefined reference to `meam_force_'
pair_meam.o(.text+0x1fb3): In function `LAMMPS_NS::PairMEAM::coeff(int, char**)':
: undefined reference to `meam_setup_done_'
pair_meam.o(.text+0x2d38): In function `LAMMPS_NS::PairMEAM::read_files(char*, char*)':
: undefined reference to `meam_setup_global_'
pair_meam.o(.text+0x3245): In function `LAMMPS_NS::PairMEAM::read_files(char*, char*)':
: undefined reference to `meam_setup_param_'
pair_reax.o(.text+0x922): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x92e): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x942): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x94e): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x2305): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `rsmall_'
pair_reax.o(.text+0x2312): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `rsmall_'
pair_reax.o(.text+0x2330): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x2340): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x2351): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x235d): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkch_'
pair_reax.o(.text+0x2374): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkia_'
pair_reax.o(.text+0x238b): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkia_'
pair_reax.o(.text+0x239a): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x24ed): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x24f4): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x24fe): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x251b): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x252b): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x253d): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x2553): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x2576): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x2599): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x25a6): more undefined references to `cbknvlown_' follow
pair_reax.o(.text+0x2676): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x267d): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x2687): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x26a5): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x26b0): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x26dd): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x26e7): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x2701): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `srtbon1_'
pair_reax.o(.text+0x2720): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `molec_'
pair_reax.o(.text+0x2725): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `encalc_'
pair_reax.o(.text+0x2738): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `mdsav_'
pair_reax.o(.text+0x2771): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x277e): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x278b): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x27c3): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x27cb): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x27d3): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x27db): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x27ec): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x27fd): more undefined references to `cbkenergies_' follow
pair_reax.o(.text+0x288c): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x28b3): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x28c8): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x28dd): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x28f2): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x2907): In function `LAMMPS_NS::PairREAX::compute(int, int)':
: undefined reference to `cbkvirial_'
pair_reax.o(.text+0x291c): more undefined references to `cbkvirial_' follow
pair_reax.o(.text+0x358e): In function `LAMMPS_NS::PairREAX::pack_comm(int, int*, double*, int, int*)':
: undefined reference to `cbkabo_'
pair_reax.o(.text+0x3619): In function `LAMMPS_NS::PairREAX::unpack_comm(int, int, double*)':
: undefined reference to `cbkabo_'
pair_reax.o(.text+0x3651): In function `LAMMPS_NS::PairREAX::unpack_comm(int, int, double*)':
: undefined reference to `cbkabo_'
pair_reax.o(.text+0x36e2): In function `LAMMPS_NS::PairREAX::unpack_comm(int, int, double*)':
: undefined reference to `cbkabo_'
pair_reax.o(.text+0x3aa7): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `rsmall_'
pair_reax.o(.text+0x3ab5): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `rsmall_'
pair_reax.o(.text+0x3ad3): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x3ae3): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x3af3): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x3aff): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkch_'
pair_reax.o(.text+0x3b16): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkia_'
pair_reax.o(.text+0x3b2d): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkia_'
pair_reax.o(.text+0x3b3c): In function `LAMMPS_NS::PairREAX::write_reax_positions()':
: undefined reference to `cbkc_'
pair_reax.o(.text+0x3ca0): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3ca7): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x3cb1): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3cce): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x3cde): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3cf0): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3d06): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3d29): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3d4c): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3d59): more undefined references to `cbknvlown_' follow
pair_reax.o(.text+0x3e3c): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3e43): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x3e4d): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3e6a): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlbo_'
pair_reax.o(.text+0x3e75): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbknvlown_'
pair_reax.o(.text+0x3ea2): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3eac): In function `LAMMPS_NS::PairREAX::write_reax_vlist()':
: undefined reference to `cbkpairs_'
pair_reax.o(.text+0x3ef5): In function `LAMMPS_NS::PairREAX::read_reax_forces()':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x3f02): In function `LAMMPS_NS::PairREAX::read_reax_forces()':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x3f0f): In function `LAMMPS_NS::PairREAX::read_reax_forces()':
: undefined reference to `cbkd_'
pair_reax.o(.text+0x855e): In function `LAMMPS_NS::PairREAX::output_itemized_energy(double)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x8565): In function `LAMMPS_NS::PairREAX::output_itemized_energy(double)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x856c): In function `LAMMPS_NS::PairREAX::output_itemized_energy(double)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x8573): In function `LAMMPS_NS::PairREAX::output_itemized_energy(double)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x857a): In function `LAMMPS_NS::PairREAX::output_itemized_energy(double)':
: undefined reference to `cbkenergies_'
pair_reax.o(.text+0x8581): more undefined references to `cbkenergies_' follow
pair_reax.o(.text+0x8ae1): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `readc_'
pair_reax.o(.text+0x8ae6): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `reaxinit_'
pair_reax.o(.text+0x8aeb): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `ffinpt_'
pair_reax.o(.text+0x8af0): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `tap7th_'
pair_reax.o(.text+0x8b02): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `setngeofor_'
pair_reax.o(.text+0x8b17): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `readgeo_'
pair_reax.o(.text+0x8b23): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `getswb_'
pair_reax.o(.text+0x8b51): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `getvlbora_'
pair_reax.o(.text+0x8b6d): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `getnso_'
pair_reax.o(.text+0x8b79): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `getswa_'
pair_reax.o(.text+0x8bdc): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `cbkchb_'
pair_reax.o(.text+0x8be4): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `cbkchb_'
pair_reax.o(.text+0x8bec): In function `LAMMPS_NS::PairREAX::init_style()':
: undefined reference to `cbkchb_'
make[1]: *** [../lmp_lewis] Error 1
make[1]: Leaving directory `/ifs/ibfs1/home/lyang/lammps-20Feb10/src/Obj_lewis'
make: *** [lewis] Error 2
And the Makefile: ( I appreciate it very much if someone can help me figure out what's wrong with my Makefile. I use mpicc to compile. The operating system on lewis is Platform OCS Linux 4.1.1 (based on Redhat Linux).In the "#System-specific settings", I just copy the path from the Makefile.package. "
# lewis = RedHat Linux box, Intel icc, MPICH2, FFTW
SHELL = /bin/sh
# System-specific settings
CC = mpiCC
CCFLAGS = -O -I//home/lyang/fftw2.1.5/include -I../../lib/atc -I../../lib/meam -I../../lib/reax -I../../lib/poems \
-DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK
DEPFLAGS = -M
LINK = mpiCC
LINKFLAGS = -O -L/home/lyang/fftw2.1.5/lib -L../../lib/atc -L../../lib/meam -L../../lib/reax -L../../lib/poems \
-DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK
LIB = -latc -lmeam -lreax -lpoems
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
# ---------------------------------------------------------------------
# LAMMPS-specific settings
# specify settings for LAMMPS features you will use
# LAMMPS ifdef options, see doc/Section_start.html
LMP_INC = -DLAMMPS_GZIP
# MPI library, can be src/STUBS dummy lib
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC = -DMPICH_IGNORE_CXX_SEEK
MPI_PATH =
MPI_LIB =
# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
# PATH = path for FFT library
# LIB = name of FFT library
FFT_INC = -DFFT_FFTW
FFT_PATH =
FFT_LIB = -lfftw
# additional system libraries needed by LAMMPS package libraries
# these settings are IGNORED if the corresponding LAMMPS package
# (e.g. gpu, meam) is NOT included in the LAMMPS build
# SYSLIB = names of libraries
# SYSPATH = paths of libraries
gpu_SYSLIB = -lcudart
meam_SYSLIB = -lifcore -lsvml -lompstub -limf
reax_SYSLIB = -lifcore -lsvml -lompstub -limf
user-atc_SYSLIB = -lblas -llapack
gpu_SYSPATH = -L/usr/local/cuda/lib64
meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib
reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
user-atc_SYSPATH =
# ---------------------------------------------------------------------
# build rules and dependencies
# no need to edit this section
include Makefile.package
EXTRA_INC = \(LMP\_INC\) (PKG_INC) \(MPI\_INC\) (FFT_INC)
EXTRA_PATH = \(PKG\_PATH\) (MPI_PATH) \(FFT\_PATH\) (PKG_SYSPATH)
EXTRA_LIB = \(PKG\_LIB\) (MPI_LIB) \(FFT\_LIB\) (PKG_SYSLIB)
# Link target
\(EXE\): (OBJ)
\(LINK\) (LINKFLAGS) \(OBJ\) (USRLIB) \(SYSLIB\) \-o (EXE)
\(SIZE\) (EXE)
# Library target
lib: \(OBJ\)
(ARCHIVE) \(ARFLAGS\) (EXE) $(OBJ)
# Compilation rules
\.o:.cpp
\(CC\) (CCFLAGS) -c $<
\.d:.cpp
\(CC\) (CCFLAGS) \(DEPFLAGS\) < > $@
# Individual dependencies
DEPENDS = \(OBJ:\.o=\.d\)
include (DEPENDS)