Dear All:
The platform is redhat, openmpi. I use mpicc to compile. I’ve built all libraries of atc, meam, poems,reax, except gnu. But it still has problem:
make[1]: Entering directory /ifs/ibfs1/home/lyang/lammps-20Feb10/src/Obj_lewis' mpiCC -O -L/home/lyang/fftw2.1.5/lib -L../../lib/poems -L../../lib/meam -L../../lib/atc -L../../lib/reax -L/opt/intel/fce/9.1.036/lib angle_cg_cmm.o angle_charmm.o angle_class2.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_colloid.o atom_vec.o atom_vec_dipole.o atom_vec_ellipsoid.o atom_vec_full.o atom_vec_granular.o atom_vec_hybrid.o atom_vec_molecular.o atom_vec_peri.o bond_class2.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 cg_cmm_parms.o change_box.o comm.o compute_ackland_atom.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_damage_atom.o compute_dihedral_local.o compute_displace_atom.o compute_erotate_asphere.o compute_erotate_sphere.o compute_event_displace.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_asphere.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_class2.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_xtc.o dump_xyz.o error.o ewald.o ewald_n.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_event.o fix_freeze.o fix_gravity.o fix_heat.o fix_imd.o fix_indent.o fix_langevin.o fix_lineforce.o fix_minimize.o fix_momentum.o fix_move.o fix_nph.o fix_npt_asphere.o fix_npt.o fix_npt_sphere.o fix_nve_asphere.o fix_nve.o fix_nve_limit.o fix_nve_noforce.o fix_nve_sphere.o fix_nvt_asphere.o fix_nvt.o fix_nvt_sllod.o fix_nvt_sphere.o fix_orient_fcc.o fix_peri_neigh.o fix_planeforce.o fix_poems.o fix_pour.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_smd.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_colloid.o fix_wall.o fix_wall_gran.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_class2.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.o pair_buck_coul_cut.o pair_buck_coul_long.o pair_buck.o pair_cdeam.o pair_cg_cmm_coul_cut.o pair_cg_cmm_coul_long.o pair_cg_cmm.o pair_cmm_common.o pair_colloid.o pair_coul_cut.o pair_coul_debye.o pair_coul_long.o pair.o pair_dipole_cut.o pair_dpd.o pair_dsmc.o pair_eam_alloy.o pair_eam_alloy_opt.o pair_eam.o pair_eam_fs.o pair_eam_fs_opt.o pair_eam_opt.o pair_gayberne.o pair_gayberne_gpu.o pair_gran_hertz_history.o pair_gran_hooke.o pair_gran_hooke_history.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_charmm_coul_long_opt.o pair_lj_class2_coul_cut.o pair_lj_class2_coul_long.o pair_lj_class2.o pair_lj_coul.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_cut_gpu.o pair_lj_cut_opt.o pair_lj_expand.o pair_lj_gromacs_coul_gromacs.o pair_lj_gromacs.o pair_lj_smooth.o pair_lubricate.o pair_meam.o pair_morse.o pair_morse_opt.o pair_peri_pmb.o pair_reax.o pair_resquared.o pair_soft.o pair_sw.o pair_table.o pair_tersoff.o pair_tersoff_zbl.o pair_yukawa_colloid.o pair_yukawa.o pppm.o pppm_tip4p.o prd.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 xdr_compat.o -lfftw -lpoems -lmeam -lreax -latc -lpthread -lstdc++ -lifcore -lsvml -lompstub -limf -lblas -o ../lmp_lewis fix_nph.o(.text+0x31f6): In function LAMMPS_NS::FixNPH::initial_integrate_respa(int, int, int)’:
: undefined reference to __svml_exp2' fix_nph.o(.text+0x3216): In function LAMMPS_NS::FixNPH::initial_integrate_respa(int, int, int)’:
: undefined reference to __svml_exp2' fix_nph.o(.text+0x32ce): In function LAMMPS_NS::FixNPH::initial_integrate_respa(int, int, int)’:
: undefined reference to __svml_exp2' fix_nph.o(.text+0x32ee): In function LAMMPS_NS::FixNPH::initial_integrate_respa(int, int, int)’:
: undefined reference to __svml_exp2' fix_nph.o(.text+0x3870): In function LAMMPS_NS::FixNPH::initial_integrate(int)’:
: undefined reference to __svml_exp2' fix_nph.o(.text+0x3892): more undefined references to __svml_exp2’ follow
improper_class2.o(.text+0xa98): In function LAMMPS_NS::ImproperClass2::compute(int, int)': : undefined reference to __svml_acos2’
improper_class2.o(.text+0xa9d): In function LAMMPS_NS::ImproperClass2::compute(int, int)': : undefined reference to __svml_sin2’
improper_class2.o(.text+0xab7): In function LAMMPS_NS::ImproperClass2::compute(int, int)': : undefined reference to __svml_acos2’
improper_class2.o(.text+0xac0): In function LAMMPS_NS::ImproperClass2::compute(int, int)': : undefined reference to __svml_sin2’
pair_airebo.o(.text+0x16e6): In function LAMMPS_NS::PairAIREBO::compute(int, int)': : undefined reference to __svml_exp2’
pair_airebo.o(.text+0x1765): In function LAMMPS_NS::PairAIREBO::compute(int, int)': : undefined reference to __svml_exp2’
pair_airebo.o(.text+0x7598): In function LAMMPS_NS::PairAIREBO::gSpline(double, double, int, double*, double*)': : undefined reference to __svml_pow2’
pair_airebo.o(.text+0x7602): In function LAMMPS_NS::PairAIREBO::gSpline(double, double, int, double*, double*)': : undefined reference to __svml_pow2’
pair_airebo.o(.text+0x7662): In function LAMMPS_NS::PairAIREBO::gSpline(double, double, int, double*, double*)': : undefined reference to __svml_pow2’
pair_airebo.o(.text+0x7726): In function LAMMPS_NS::PairAIREBO::gSpline(double, double, int, double*, double*)': : undefined reference to __svml_pow2’
pair_airebo.o(.text+0x7790): In function LAMMPS_NS::PairAIREBO::gSpline(double, double, int, double*, double*)': : undefined reference to __svml_pow2’
pair_airebo.o(.text+0x77f0): more undefined references to __svml_pow2' follow pair_airebo.o(.text+0x1b009): In function LAMMPS_NS::PairAIREBO::FREBO(int, int)’:
: undefined reference to __svml_exp2' pair_airebo.o(.text+0x1b088): In function LAMMPS_NS::PairAIREBO::FREBO(int, int)’:
: undefined reference to __svml_exp2' pair_gayberne_gpu.o(.text+0x196): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_time(int)' pair_gayberne_gpu.o(.text+0x1be): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_clear(int)' pair_gayberne_gpu.o(.text+0x2a4): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_time(int)' pair_gayberne_gpu.o(.text+0x2c7): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_clear(int)' pair_gayberne_gpu.o(.text+0x3a4): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_time(int)' pair_gayberne_gpu.o(.text+0x3c7): In function LAMMPS_NS::PairGayBerneGPU::~PairGayBerneGPU()’:
: undefined reference to gb_gpu_clear(int)' pair_gayberne_gpu.o(.text+0x50a): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_reset_nbors(int, int, int, int*, int const*, int const*, int, bool&)' pair_gayberne_gpu.o(.text+0x555): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_atom(double**, double**, int const*, bool, int)' pair_gayberne_gpu.o(.text+0x581): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_gayberne(bool, bool, bool, int)' pair_gayberne_gpu.o(.text+0x60a): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_forces(double**, double**, int const*, bool, bool, bool, bool, double*, double**, double*, int)' pair_gayberne_gpu.o(.text+0x759): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_nbors(int const*, int, bool, int)' pair_gayberne_gpu.o(.text+0x7b4): In function LAMMPS_NS::PairGayBerneGPU::compute(int, int)’:
: undefined reference to gb_gpu_nbors(int const*, int, bool, int)' pair_gayberne_gpu.o(.text+0x9ae): In function LAMMPS_NS::PairGayBerneGPU::memory_usage()’:
: undefined reference to gb_gpu_bytes()' pair_gayberne_gpu.o(.text+0xce9): In function LAMMPS_NS::PairGayBerneGPU::init_style()’:
: undefined reference to gb_gpu_init(int&, int, double, double, double, double**, double**, double**, double**, double**, double*, int**, double**, double**, double**, double**, double**, double*, int, int, int)' pair_gayberne_gpu.o(.text+0xe2f): In function LAMMPS_NS::PairGayBerneGPU::init_style()’:
: undefined reference to gb_gpu_name(int, int, char*)' pair_lj_cut_gpu.o(.text+0x14b): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_time()' pair_lj_cut_gpu.o(.text+0x168): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_clear()' pair_lj_cut_gpu.o(.text+0x23e): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_time()' pair_lj_cut_gpu.o(.text+0x25b): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_clear()' pair_lj_cut_gpu.o(.text+0x32e): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_time()' pair_lj_cut_gpu.o(.text+0x34b): In function LAMMPS_NS::PairLJCutGPU::~PairLJCutGPU()’:
: undefined reference to lj_gpu_clear()' pair_lj_cut_gpu.o(.text+0x46b): In function LAMMPS_NS::PairLJCutGPU::compute(int, int)’:
: undefined reference to lj_gpu_cell(double**, double*, double**, int*, int, int, int, bool, bool, double const*, double const*)' pair_lj_cut_gpu.o(.text+0x653): In function LAMMPS_NS::PairLJCutGPU::memory_usage()’:
: undefined reference to lj_gpu_bytes()' pair_lj_cut_gpu.o(.text+0x984): In function LAMMPS_NS::PairLJCutGPU::init_style()’:
: undefined reference to lj_gpu_init(int&, int, double**, double**, double**, double**, double**, double**, double**, double**, double*, double*, double*, double, double, int, int)' pair_lj_cut_gpu.o(.text+0xa75): In function LAMMPS_NS::PairLJCutGPU::init_style()’:
: undefined reference to lj_gpu_name(int, int, char*)' pppm.o(.text+0x16de): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_exp2' pppm.o(.text+0x1712): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_sin2_mask' pppm.o(.text+0x1724): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_pow2_mask' pppm.o(.text+0x18c2): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_exp2' pppm.o(.text+0x18fb): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_sin2' pppm.o(.text+0x1911): In function LAMMPS_NS::PPPM::setup()’:
: undefined reference to __svml_pow2' pppm.o(.text+0x574e): In function LAMMPS_NS::PPPM::rms(double, double, double, double, double**)’:
: undefined reference to __svml_pow2' pppm.o(.text+0x57d5): In function LAMMPS_NS::PPPM::rms(double, double, double, double, double**)’:
: undefined reference to __svml_pow2' pppm.o(.text+0x5843): In function LAMMPS_NS::PPPM::rms(double, double, double, double, double**)’:
: undefined reference to __svml_pow2' pppm.o(.text+0x7af6): In function LAMMPS_NS::PPPM::set_grid()’:
: undefined reference to __svml_pow2' pppm.o(.text+0x7bb6): more undefined references to __svml_pow2’ follow
…/…/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x164b): In function compute_pair_meam_': : undefined reference to __svml_exp2’
…/…/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x1812): In function compute_pair_meam_': : undefined reference to __svml_exp2’
…/…/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x7803): In function zbl_': : undefined reference to _svml_exp2’
…/…/lib/reax/libreax.a(reax_inout.o)(.text+0x12b1): In function ffinpt_': : undefined reference to svml_pow2’
…/…/lib/reax/libreax.a(reax_inout.o)(.text+0x13bb): In function ffinpt_': : undefined reference to svml_pow2’
…/…/lib/atc/libatc.a(Matrix.o)(.text+0x2eb): In function inv(Matrix<double> const&)': /ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:52: undefined reference to dgetrf’
…/…/lib/atc/libatc.a(Matrix.o)(.text+0x32c):/ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:60: undefined reference to dlange_' ../../lib/atc/libatc.a(Matrix.o)(.text+0x36f):/ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:63: undefined reference to dgecon’
…/…/lib/atc/libatc.a(Matrix.o)(.text+0x3a7):/ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:69: undefined reference to dgetri_' ../../lib/atc/libatc.a(Matrix.o)(.text+0x3ed):/ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:78: undefined reference to dgetri’
…/…/lib/atc/libatc.a(Matrix.o)(.text+0x856): In function det(Matrix<double> const&)': /ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:110: undefined reference to dgetrf’
…/…/lib/atc/libatc.a(Matrix.o)(.text+0xda1): In function max_eigenvalue(Matrix<double> const&)': /ifs/ibfs1/home/lyang/lammps-20Feb10/lib/atc/Matrix.cpp:136: undefined reference to dgetrf’
make[1]: *** […/lmp_lewis] Error 1
make[1]: Leaving directory `/ifs/ibfs1/home/lyang/lammps-20Feb10/src/Obj_lewis’
make: *** [lewis] Error 2
The following is my makefile. Since the system’s name is lewis, I change the file’s name into Makefile.lewis.
I appreciate it very much if you can help me figure out the problem
ttm = 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/poems -I…/…/lib/reax -I…/…/lib/atc -I…/…/lib/meam
-DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK
DEPFLAGS = -M
LINK = mpiCC
LINKFLAGS = -O -L/home/lyang/fftw2.1.5/lib
-L…/…/lib/poems -L…/…/lib/meam -L…/…/lib/atc
-L…/…/lib/reax -L/opt/intel/fce/9.1.036/lib
USRLIB = -lfftw -lpoems -lmeam -lreax -latc
SYSLIB = -lpthread -lstdc++ -lifcore -lsvml -lompstub -limf -lblas
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
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) < > [email protected]
Individual dependencies
DEPENDS = (OBJ:.o=.d) include (DEPENDS)
Nick Yang