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[lammps-users] Compiling LAMMPS with intel parallel studio Ubuntu 16.04
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[lammps-users] Compiling LAMMPS with intel parallel studio Ubuntu 16.04


From: Afshin Arjangmehr <ms.arjangmehr@...24...>
Date: Sun, 20 Aug 2017 00:49:52 +0430

Dear Lammps users and developers,

Recently, I tried to compile and install LAMMPS-latest release on Ubuntu 16.04 and I exactly followed the instruction given in:

https://linuxcluster.wordpress.com/2016/06/14/compiling-lammps-14may16-with-intel-15-0-6-and-intel-mpi-5-0-3/7

I have installed intel parallel studio and I've edited my .bashrc file to include mpiiifort, mpiicc and mpiicpc as my default compilers. Also, I used the following command to compile lammps with intel Makefile:

make intel_cpu_intelmpi -j 8

but unfortunately, during final steps of compilation I face with this particular error given at the end of this email. I googled to find out what was the problem and it seems that there is a conflict between Linux default mpicxx wrapper and the one provided by intel mpicpc. In another community (GPAW), it was suggested that all the links that include mpicxx should be deleted in Makefile so this conflict never happens. But as I searched in .../Makefile & .../MAKE/OPTIONS/Makefile.intel_cpu, I couldn't find the specific lines pointing to shared libraries that cause this conflict. Can you help me solve this problem?
Also, I've succefully installed several other unix-based packages such as VASP, Quantum Espresso, Prophet and ... with my current OS, so I believe my compilers are okay.

---- error part of compilation

mpiicpc -g -qopenmp -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -L../../lib/reax -L../../lib/poems -L../../lib/meam       -L/opt/intel/fce/10.0.023/lib   pair_lj_gromacs_coul_gromacs_omp.o nstencil_half_bin_3d_newtoff.o dihedral_opls_intel.o npair_half_size_nsq_newtoff.o pppm_disp_intel.o pair_buck.o fix_controller.o fix_drag.o pair_adp.o fix_nph_body.o pair_resquared_omp.o pair_lj_cut_coul_dsf_omp.o pair_buck_coul_cut_omp.o pair_rebo.o fix_temp_csvr.o npair_full_multi.o lattice.o fix_rigid_nve.o displace_atoms.o npair_full_nsq.o pair_lj_cut_omp.o pppm_cg_omp.o molecule.o pair_buck_coul_long.o pair_tip4p_long_omp.o compute_angle_local.o region_plane.o fix_srd.o dihedral_opls.o npair_half_respa_nsq_newtoff_omp.o fix_append_atoms.o pair_born_coul_long_cs.o create_box.o bond_quartic_omp.o compute_com.o output.o angle_harmonic.o compute_temp_sphere.o nstencil_half_ghost_bin_2d_newtoff.o update.o angle_harmonic_omp.o pair_coul_cut_omp.o image.o bond.o fix_npt_asphere.o fix_bond_create.o pair_tersoff_mod_c_omp.o fix_wall.o fix_omp.o pair_gw_zbl.o pair_beck.o pair_lj_cubic_omp.o pair_nm_cut_coul_cut.o fix_rigid_nh_small.o fix_nphug_omp.o pair_lj_charmm_coul_charmm_implicit.o pppm_cg.o random_mars.o improper_cvff_omp.o npair_half_size_bin_newton_tri_omp.o npair_half_respa_bin_newton_tri_omp.o npair_half_nsq_newtoff.o memory.o fix_ave_time.o fix_nve.o pair_lj_class2_coul_cut.o pair_gw.o comm_brick.o pair_lj_charmm_coul_long_intel.o timer.o pair_vashishta_table_omp.o npair_full_bin_atomonly.o dump.o compute_temp_cs.o pair_lj_cut_tip4p_long_opt.o compute_erotate_asphere.o angle_cosine_omp.o nstencil_half_ghost_bin_3d_newtoff.o min_quickmin.o dihedral_charmm.o dump_xtc.o compute_rigid_local.o improper_zero.o compute_contact_atom.o bond_nonlinear_omp.o region_sphere.o pair_lubricateU_poly.o region_intersect.o fix_restrain.o fix_langevin.o finish.o compute_angmom_chunk.o body.o dihedral.o bond_nonlinear.o fix_evaporate.o fix.o fix_nph_asphere_omp.o neigh_list.o fix_ave_correlate.o compute_msd_chunk.o compute_sna_atom.o npair_full_bin.o compute_dilatation_atom.o pppm_tip4p_omp.o fix_rigid_nvt_omp.o npair_half_size_bin_newtoff_omp.o npair_half_respa_bin_newtoff_omp.o compute_reduce.o fix_rigid_npt_small.o region.o improper.o fix_store_state.o fix_nvt_intel.o pair_lj96_cut.o compute_plasticity_atom.o pair_nm_cut_coul_long.o nstencil_half_bin_2d_newton.o pair_tersoff_intel.o compute_cna_atom.o improper_hybrid.o npair_half_respa_nsq_newton.o create_bonds.o fix_temp_rescale.o pair_lubricateU.o neighbor.o fix_spring_rg.o dump_custom_mpiio.o pair_tersoff_mod_c.o fix_rigid_nph_small.o pair_polymorphic.o write_restart.o fix_vector.o fix_nve_asphere_noforce.o dihedral_multi_harmonic.o nbin.o write_coeff.o fix_nph_asphere.o min_cg.o fix_halt.o pppm_omp.o procmap.o compute_gyration.o pppm_tip4p.o npair_half_size_bin_newtoff.o npair_half_respa_bin_newtoff.o pair_lj_cut_coul_long_intel.o bond_table_omp.o fix_orient_bcc.o dihedral_class2_omp.o pair_lj_long_dipole_long.o compute_erotate_sphere.o dihedral_opls_omp.o compute_temp_profile.o npair_half_bin_newton_intel.o math_special.o angle_harmonic_intel.o pair_resquared.o ntopo_dihedral_template.o pair_eam_alloy_omp.o pair_rebo_omp.o npair_half_bin_newtoff_omp.o compute_vacf.o fix_rigid_nve_omp.o fix_ave_histo.o npair_full_nsq_omp.o fix_rigid_nvt.o reader_xyz.o pair_buck_coul_long_omp.o improper_harmonic_intel.o npair_full_bin_atomonly_omp.o npair_full_bin_ghost.o npair_halffull_newton_omp.o pair_dsmc.o angle_cosine.o pair_lj_cut_dipole_cut_omp.o fix_deform.o pair_lj_charmm_coul_charmm.o dump_cfg_mpiio.o atom.o thr_omp.o nstencil_half_multi_2d_newton.o pair_born_coul_long_omp.o fix_wall_harmonic.o pair_lj_expand_omp.o ewald_disp.o pair_lj_cut_dipole_long.o compute_chunk_atom.o compute_ke_atom.o pppm_intel.o math_extra.o compute_ke_rigid.o tad.o pair_gauss.o fix_rigid_nve_small.o pair_soft.o pair_eam_omp.o nstencil_full_multi_3d.o pair_gran_hertz_history_omp.o fix_poems.o fix_atom_swap.o library.o npair_half_size_bin_newton_omp.o npair_half_respa_bin_newton_omp.o bond_fene_omp.o fix_rigid_nh.o compute_temp_body.o pair_lj_long_coul_long_omp.o fix_spring_self.o dihedral_multi_harmonic_omp.o fix_nve_noforce.o pair_hybrid.o npair_half_multi_newtoff_omp.o pair_lj_charmm_coul_msm_omp.o angle_hybrid.o compute_angle.o fix_shear_history.o fix_planeforce.o pair_lj_cut_coul_cut_omp.o npair_half_nsq_newtoff_omp.o compute_pressure.o fix_gcmc.o nstencil_half_multi_3d_newton.o npair_skip_size_off2on.o min_hftn.o improper_class2.o fix_nvt_asphere_omp.o pair_zero.o compute_temp_region.o pair_vashishta_omp.o fix_qeq_comb.o fix_wall_srd.o fix_nh_omp.o fix_event_prd.o pair_buck_intel.o pair_mie_cut.o fix_nve_limit.o atom_vec.o dihedral_harmonic_omp.o pair_tersoff_zbl.o bond_hybrid.o pair_lj_long_coul_long.o improper_umbrella_omp.o compute_stress_atom.o fix_respa.o integrate.o angle_cosine_delta_omp.o fix_cmap.o pair_coul_msm_omp.o pair_eam.o npair_halffull_newtoff_omp.o angle_class2_omp.o fix_shake.o dump_image.o pair_tip4p_cut_omp.o npair_half_respa_bin_newton.o pair_buck_coul_long_intel.o compute_property_atom.o npair_half_bin_newton_tri_omp.o compute_temp.o compute_temp_asphere.o pair_buck_omp.o atom_vec_line.o pair_lj_cut_coul_long_cs.o msm_cg.o npair_half_multi_newtoff.o pair_tip4p_long.o fix_ttm.o pair_nm_cut_omp.o delete_atoms.o ntopo_dihedral_partial.o pair_sw.o npair_half_multi_newton_tri.o pair_lj_long_tip4p_long_omp.o compute_dihedral.o fix_python.o dihedral_charmmfsw.o fix_nvt_asphere.o pair_tersoff_zbl_omp.o npair_half_bin_newtoff_ghost.o compute_event_displace.o compute_body_local.o compute_improper_local.o prd.o compute_msd_nongauss.o sna.o fix_gld.o compute_ke.o npair_half_respa_bin_newton_tri.o npair_half_size_nsq_newton_omp.o compute_group_group.o atom_vec_molecular.o angle_cosine_squared.o fix_group.o pair_buck_coul_cut_intel.o angle_zero.o fix_dt_reset.o fix_qeq_point.o pair_lj_class2.o atom_vec_angle.o angle_class2.o pair_lj_charmm_coul_charmm_omp.o pair_airebo.o pair_snap.o pair_hbond_dreiding_morse.o npair_half_bin_newton_tri.o pair_lj_class2_coul_cut_omp.o dump_local.o fix_event.o pair_coul_wolf_omp.o pair_coul_long.o pair_gauss_omp.o write_data.o pair_lj_class2_coul_long.o fix_ave_histo_weight.o bond_harmonic_intel.o fix_nvt_sphere_omp.o pair_gran_hooke_history_omp.o improper_harmonic_omp.o pppm_disp_tip4p_omp.o universe.o npair_full_bin_ghost_omp.o fix_external.o compute_vcm_chunk.o compute_property_chunk.o pair_python.o pair_nm_cut.o special.o npair_half_respa_nsq_newton_omp.o compute_reduce_region.o ntopo_bond_all.o improper_umbrella.o domain.o fix_intel.o dump_atom_gz.o npair_copy.o pair_lj_cut_tip4p_long_omp.o verlet_lrt_intel.o ntopo_angle_partial.o npair_intel.o fix_qeq_fire.o nbin_standard.o pair_lj_expand.o improper_cvff_intel.o fix_wall_piston.o pair_tri_lj.o bond_quartic.o imbalance_var.o ntopo_improper_all.o pair_peri_eps.o fix_nve_tri.o compute_dihedral_local.o fix_oneway.o fix_wall_colloid.o change_box.o pair_born_omp.o region_prism.o nstencil_half_bin_3d_newton.o pair_coul_streitz.o fix_spring_chunk.o angle_cosine_squared_omp.o pppm_disp_tip4p.o improper_class2_omp.o pair_lj_smooth.o atom_vec_bond.o pair_lj_long_tip4p_long.o nstencil_full_multi_2d.o pair_lj_long_coul_long_intel.o comm_tiled.o pair_hybrid_overlay.o comm.o compute_damage_atom.o pair_lj_cut.o fix_minimize.o read_dump.o thermo.o run.o group.o fix_nve_sphere_omp.o pair_lj_charmm_coul_long.o bond_harmonic_omp.o fix_balance.o ntopo_angle_template.o fix_nvt.o pair_coul_wolf.o fix_wall_gran_omp.o fix_heat.o pair_lj_cut_coul_msm_omp.o fix_adapt.o dump_atom_mpiio.o pair_nm_cut_coul_long_omp.o pair_lj_cut_intel.o pair_lj_cut_tip4p_cut_omp.o fix_temp_berendsen.o fix_rigid_small_omp.o fix_rattle.o fix_npt_omp.o pair_born.o pair_buck_coul_msm_omp.o pair_lj_cut_tip4p_long.o nstencil_full_bin_2d.o fix_ave_chunk.o pair_lj_cut_coul_debye_omp.o compute_msd.o fix_nve_omp.o fix_nve_body.o pair_gayberne_intel.o fix_viscosity.o dihedral_class2.o fix_qeq_dynamic.o fix_viscous.o pair_morse_opt.o fix_wall_region.o pppm_disp.o min_fire.o pair_born_coul_long.o fix_qeq_comb_omp.o pair_vashishta.o pair_gayberne.o npair_full_nsq_ghost.o fix_move.o fix_nve_sphere.o bond_harmonic.o remap.o region_cone.o dump_custom_gz.o pair_dpd_tstat_omp.o npair_full_bin_intel.o fix_nve_asphere.o fix_wall_gran.o pair_peri_pmb.o pair_lj_cut_coul_msm.o fix_bond_break.o pair_coul_long_omp.o dump_cfg_gz.o pair_coul_msm.o fix_rigid_small.o npair_full_nsq_ghost_omp.o create_atoms.o pppm.o imbalance_neigh.o neb.o dump_xyz.o write_dump.o ntopo.o gridcomm.o atom_map.o replicate.o ntopo_angle_all.o pair_lj_charmm_coul_msm.o angle_cosine_periodic_omp.o imbalance_store.o pair_comb_omp.o fix_indent.o fix_rigid_nph_omp.o angle_charmm_omp.o fix_deposit.o modify.o pair_buck_long_coul_long_omp.o fix_spring.o angle_cosine_delta.o fix_nvt_sllod_intel.o compute_erotate_sphere_atom.o pair_sw_omp.o input.o rcb.o balance.o fix_npt_sphere_omp.o fix_pour.o fix_property_atom.o msm_cg_omp.o pair_lj_cut_coul_dsf.o compute_global_atom.o pair_lj_gromacs_omp.o pair_eam_opt.o fix_nve_line.o atom_vec_charge.o npair_full_multi_omp.o remap_wrap.o error.o pair_lj_cubic.o fix_nvt_omp.o compute_displace_atom.o npair.o pair_body.o compute_snad_atom.o npair_half_bin_newton.o pair_coul_debye_omp.o verlet_split.o main.o improper_cvff.o nstencil_half_multi_3d_newtoff.o velocity.o nstencil_full_bin_3d.o pair_airebo_morse_omp.o region_union.o pair_peri_lps_omp.o angle_charmm.o citeme.o fix_npt.o fix_npt_asphere_omp.o fix_orient_fcc.o compute_inertia_chunk.o pair_buck_long_coul_long.o fix_nh_sphere_omp.o npair_half_multi_newton_tri_omp.o fix_addforce.o fix_bond_swap.o pair_gayberne_omp.o random_park.o set.o pair_hbond_dreiding_lj.o fix_npt_sphere.o region_cylinder.o compute_rdf.o pair_brownian_poly_omp.o compute_erotate_rigid.o npair_full_bin_omp.o pair_lj_gromacs.o compute_bond.o pair_lj_charmmfsw_coul_long.o pair_morse_omp.o fix_lineforce.o pair_hbond_dreiding_morse_omp.o restart_mpiio.o intel_buffers.o pair_eam_intel.o pair_eam_fs_omp.o python_impl.o compute_torque_chunk.o pair.o bond_fene_intel.o angle.o fix_nh_asphere_omp.o pair_colloid_omp.o fix_freeze.o nstencil_half_bin_3d_newton_tri.o compute_improper.o fix_nph_sphere.o pair_born_coul_msm_omp.o nstencil_half_bin_2d_newtoff.o pair_airebo_morse.o pair_peri_lps.o pair_sw_intel.o pair_lj_charmm_coul_charmm_implicit_omp.o ewald_omp.o pair_yukawa_omp.o fix_qeq.o pair_brownian_omp.o pppm_disp_omp.o pair_comb3.o npair_half_multi_newton_omp.o compute.o pair_lj_cut_coul_debye.o npair_half_nsq_newton_omp.o fix_peri_neigh.o atom_vec_sphere.o dihedral_helix_omp.o fix_nph_omp.o dump_dcd.o npair_half_bin_atomonly_newton_omp.o fix_nph_sphere_omp.o fix_nh_intel.o verlet.o compute_centro_atom.o pair_lj96_cut_omp.o pair_eam_fs.o min_sd.o pair_adp_omp.o pair_lj_charmm_coul_long_opt.o compute_ti.o kspace.o compute_temp_chunk.o atom_vec_ellipsoid.o npair_half_bin_newton_tri_intel.o pair_born_coul_dsf.o pair_colloid.o pair_coul_cut.o pair_born_coul_msm.o fix_rigid_nph.o fix_rigid_omp.o compute_temp_com.o atom_vec_full.o fix_event_tad.o pair_reax.o pair_yukawa.o compute_temp_ramp.o imbalance_time.o pair_eim_omp.o pair_yukawa_colloid_omp.o nstencil_full_ghost_bin_3d.o pair_brownian.o pair_eam_alloy_opt.o msm_omp.o rerun.o npair_half_multi_newton.o fix_neb.o pair_buck_coul_long_cs.o pair_lj_gromacs_coul_gromacs.o atom_vec_atomic.o pair_brownian_poly.o npair_half_nsq_newton.o pair_tersoff_omp.o dihedral_helix.o npair_half_bin_newtoff_ghost_omp.o compute_cluster_atom.o dihedral_hybrid.o pair_comb.o npair_half_bin_atomonly_newton.o dump_atom.o fix_deprecated.o compute_orientorder_atom.o bond_zero.o pair_lj_class2_coul_long_omp.o pair_born_coul_wolf_omp.o pair_dpd_tstat.o fix_nve_asphere_intel.o atom_vec_peri.o pair_lj_cut_dipole_cut.o compute_temp_partial.o dump_cfg.o pair_coul_debye.o force.o fix_qeq_shielded.o pair_coul_dsf_omp.o dihedral_zero.o compute_slice.o pair_vashishta_table.o atom_vec_dipole.o python.o pair_eam_fs_opt.o fix_ave_atom.o bond_class2_omp.o fix_wall_lj126.o fix_nvt_sphere.o info.o npair_half_bin_newton_omp.o compute_pe_atom.o atom_vec_tri.o fix_temp_csld.o compute_gyration_chunk.o pair_lj_cut_coul_long_omp.o pair_yukawa_colloid.o dump_xyz_gz.o fix_nh_body.o fix_gravity.o irregular.o fix_rigid_npt_omp.o xdr_compat.o npair_half_size_bin_newton_tri.o npair_half_respa_nsq_newtoff.o fix_thermal_conductivity.o npair_skip_size_off2on_oneside.o fix_tfmc.o fft3d_wrap.o fix_setforce.o pair_gran_hooke_omp.o thr_data.o dihedral_charmm_omp.o min.o nstencil_half_multi_2d_newtoff.o pppm_stagger.o domain_omp.o fix_tune_kspace.o pair_lj_smooth_omp.o minimize.o fix_nh_sphere.o variable.o fix_recenter.o fix_nvt_body.o fix_wall_lj93.o fix_msst.o npair_skip.o reader.o pair_coul_dsf.o temper.o fix_box_relax.o respa_omp.o read_restart.o pair_zbl_omp.o imbalance.o bond_class2.o reader_native.o pair_nm_cut_coul_cut_omp.o pair_born_coul_wolf.o fix_wall_lj1043.o pair_nb3b_harmonic_omp.o compute_dipole_chunk.o compute_pair.o fix_npt_body.o pair_lubricate_poly_omp.o pair_lj_cut_coul_long.o fix_nh.o pair_morse.o dihedral_harmonic.o dihedral_harmonic_intel.o pair_lj_charmm_coul_long_omp.o compute_hexorder_atom.o fix_rigid_npt.o bond_morse_omp.o pair_peri_pmb_omp.o fix_aveforce.o npair_halffull_newtoff.o pair_meam.o nstencil_half_bin_2d_newton_tri.o pair_lj_smooth_linear_omp.o pair_gran_hooke.o atom_vec_body.o fix_npt_intel.o neigh_request.o compute_snav_atom.o pair_zbl.o pair_lj_class2_omp.o fix_wall_gran_region.o pair_table_omp.o improper_harmonic.o pair_lj_long_coul_long_opt.o read_data.o angle_table_omp.o compute_pair_local.o fix_enforce2d.o compute_temp_deform.o lammps.o body_nparticle.o respa.o pair_tersoff_mod_omp.o pair_nb3b_harmonic.o fix_rigid.o dump_custom.o npair_half_size_nsq_newton.o bond_fene_expand_omp.o fix_nve_intel.o fft3d.o compute_pe.o pair_lj_cut_opt.o msm.o fix_read_restart.o imbalance_group.o nstencil.o pair_tersoff.o bond_morse.o npair_skip_size.o npair_half_bin_newtoff.o bond_fene.o pair_lj_cut_tip4p_cut.o fix_nph.o pair_lj_smooth_linear.o npair_half_nsq_newtoff_ghost_omp.o compute_heat_flux.o pair_lj_cut_coul_long_opt.o dihedral_charmm_intel.o pair_coul_long_cs.o pair_lubricate_omp.o pair_eim.o pair_table.o pair_born_coul_dsf_cs.o compute_omega_chunk.o pair_lubricate_poly.o angle_table.o pair_beck_omp.o dump_xyz_mpiio.o npair_halffull_newton.o fix_ehex.o nstencil_full_ghost_bin_2d.o angle_charmm_intel.o delete_bonds.o bond_table.o pair_tersoff_mod.o pair_dpd_omp.o pair_line_lj.o fix_nphug.o region_block.o fix_rigid_nvt_small.o fix_gravity_omp.o pair_bop.o bond_fene_expand.o pair_buck_coul_cut.o fix_nvt_sllod_omp.o ntopo_improper_partial.o npair_half_nsq_newtoff_ghost.o compute_bond_local.o ewald.o compute_com_chunk.o pair_buck_coul_msm.o min_linesearch.o pair_airebo_omp.o atom_vec_hybrid.o pair_peri_ves.o nbin_intel.o pair_gran_hooke_history.o fix_press_berendsen.o fix_peri_neigh_omp.o pair_soft_omp.o pair_lj_charmmfsw_coul_charmmfsh.o fix_qeq_slater.o compute_coord_atom.o fix_reax_bonds.o fix_efield.o fix_print.o pair_lubricate.o atom_vec_template.o fix_rigid_nh_omp.o fix_wall_reflect.o nstencil_half_multi_3d_newton_tri.o ntopo_bond_template.o fix_shear_history_omp.o npair_skip_respa.o pair_lcbop.o pair_dpd.o npair_half_size_bin_newton.o pair_tip4p_cut.o pair_lj_cut_coul_cut.o dump_movie.o nstencil_half_multi_2d_newton_tri.o pair_eam_alloy.o fix_nvt_sllod.o ntopo_dihedral_all.o ntopo_improper_template.o pair_hbond_dreiding_lj_omp.o fix_tmd.o compute_property_local.o fix_momentum.o fix_nh_asphere.o pair_gran_hertz_history.o fix_store_force.o angle_cosine_periodic.o ntopo_bond_partial.o npair_half_size_nsq_newtoff_omp.o fix_store.o -lreax -lpoems -lmeam   -L/opt/intel/composer_xe_2015.0.090/mkl/lib/intel64/ -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core      -lifcore  -L/usr/lib/python2.7/config-x86_64-linux-gnu -L/usr/lib -lpython2.7 -lpthread -ldl  -lutil -lm  -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -lifcore -lsvml -lompstub -limf -lz  -ltbbmalloc -o ../lmp_intel_cpu_intelmpi
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `PMPIX_Comm_group_failed'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Datatype_builtin'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Type_contiguous'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Type_free_impl'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Grequest_set_lang_f77'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Wtime_todouble'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommGetAttr_fort'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinGetAttr'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIU_Handle_get_ptr_indirect'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Op_set_cxx'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Keyval_set_proxy'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Type_commit'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Wtick'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPI_WEIGHTS_EMPTY'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeSetAttr'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_create_code'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_preOrPostInit'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeGetAttr'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Datatype_direct'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinSetAttr'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_b_use_gettimeofday'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommSetAttr'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Datatype_mem'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Process'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPI_UNWEIGHTED'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `PMPIX_Comm_reenable_anysource'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPID_Datatype_set_contents'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Add_finalize'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `PMPIX_Comm_remote_group_failed'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_return_comm'
/opt/intel//impi/5.0.1.035/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Errhandler_set_cxx'
size ../lmp_intel_cpu_intelmpi
size: '../lmp_intel_cpu_intelmpi': No such file
Makefile:92: recipe for target '../lmp_intel_cpu_intelmpi' failed
make[1]: *** [../lmp_intel_cpu_intelmpi] Error 1
make[1]: Leaving directory '/home/koma/software/lammps-2017/compile/lammps-11Aug17/src/Obj_intel_cpu_intelmpi'
Makefile:158: recipe for target 'intel_cpu_intelmpi' failed
make: *** [intel_cpu_intelmpi] Error 2

Thank you very much.


--
With Best Regards
Afshin Arjhangemehr
PhD candidate in Radiation Application