Hello, i am imran, i want to install lammps(new version) at RHEL 5 with a single processor computer of 2.0Ghz. i haved installed the FFTW 2.1.5 and MPICH2-1.3.2p1. then i installed the lib files include with the lammps package atc, poems,meam etc then i use the commands
#make STUBS
STUBS is up to date appears
then i use make command to make lammps the the following lines appears
[root@…436… src]# make linux
make[1]: Entering directory `/root/imran/lammps-4Apr11/src/Obj_linux’
gcc -O -i/usr/local/lib -i/usr/local/lib angle_charmm.o angle_cosine.o angle_cosine_delta.o angle_cosine_periodic.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_atom_molecule.o compute_bond_local.o compute_centro_atom.o compute_cluster_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.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 compute_ti.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_adapt.o fix_addforce.o fix_ave_atom.o fix_ave_correlate.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_external.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_nh.o fix_nh_sphere.o fix_nph.o fix_nph_sphere.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_press_berendsen.o fix_print.o fix_qeq_comb.o fix_read_restart.o fix_recenter.o fix_respa.o fix_rigid.o fix_rigid_nve.o fix_rigid_nvt.o fix_setforce.o fix_shake.o fix_shear_history.o fix_spring.o fix_spring_rg.o fix_spring_self.o fix_store_force.o fix_store_state.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 improper_umbrella.o input.o integrate.o irregular.o kspace.o lammps.o lattice.o library.o main.o memory.o min_cg.o min.o min_fire.o min_hftn.o minimize.o min_linesearch.o min_quickmin.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_born.o pair_buck_coul_cut.o pair_buck_coul_long.o pair_buck.o pair_comb.o pair_coul_cut.o pair_coul_debye.o pair_coul_long.o pair.o pair_dpd.o pair_dpd_tstat.o pair_eam_alloy.o pair_eam.o pair_eam_fs.o pair_eim.o pair_gauss.o pair_hbond_dreiding_lj.o pair_hbond_dreiding_morse.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_morse.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 special.o thermo.o timer.o universe.o update.o variable.o velocity.o verlet.o write_restart.o -lmpich -lpthread -lfftw -lstdc++ -o …/lmp_linux
/usr/local/lib/libmpich.a(init.o): In function `MPI_Init’:
init.c:(.text+0x34): undefined reference to `MPL_env2str’
init.c:(.text+0x54): undefined reference to `MPL_env2bool’
/usr/local/lib/libmpich.a(initthread.o): In function `MPI_Init_thread’:
initthread.c:(.text+0x4a6): undefined reference to `MPL_env2bool’
/usr/local/lib/libmpich.a(param_vals.o): In function `MPIR_Param_init_params’:
param_vals.c:(.text+0x16): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x33): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x50): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x6d): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x8a): undefined reference to `MPL_env2int’
/usr/local/lib/libmpich.a(param_vals.o):param_vals.c:(.text+0xa7): more undefined references to `MPL_env2int’ follow
/usr/local/lib/libmpich.a(param_vals.o): In function `MPIR_Param_init_params’:
param_vals.c:(.text+0x3d3): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x3f0): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x40d): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x42a): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x447): undefined reference to `MPL_env2bool’
/usr/local/lib/libmpich.a(param_vals.o):param_vals.c:(.text+0x464): more undefined references to `MPL_env2bool’ follow
/usr/local/lib/libmpich.a(param_vals.o): In function `MPIR_Param_init_params’:
param_vals.c:(.text+0x4bb): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x4d8): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x4f5): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x512): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x52f): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x54c): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x569): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x586): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x5a3): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x5c0): undefined reference to `MPL_env2int’
param_vals.c:(.text+0x5dd): undefined reference to `MPL_env2str’
param_vals.c:(.text+0x5fa): undefined reference to `MPL_env2str’
param_vals.c:(.text+0x617): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x634): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x651): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x66e): undefined reference to `MPL_env2bool’
param_vals.c:(.text+0x68b): undefined reference to `MPL_env2bool’
/usr/local/lib/libmpich.a(param_vals.o):param_vals.c:(.text+0x6a8): more undefined references to `MPL_env2bool’ follow
/usr/local/lib/libmpich.a(mpid_vc.o): In function `MPIDI_Populate_vc_node_ids’:
mpid_vc.c:(.text+0x2b9): undefined reference to `MPL_env2int’
mpid_vc.c:(.text+0x2cc): undefined reference to `MPL_env2int’
mpid_vc.c:(.text+0x2f2): undefined reference to `MPL_env2bool’
/usr/local/lib/libmpich.a(tcp_init.o): In function `MPID_nem_tcp_bind’:
tcp_init.c:(.text+0x1dd): undefined reference to `MPL_env2range’
collect2: ld returned 1 exit status
make[1]: *** […/lmp_linux] Error 1
make[1]: Leaving directory `/root/imran/lammps-4Apr11/src/Obj_linux’
make: *** [linux] Error 2
[root@…436… src]#
the am unable to understand the problem, is there any body who can kindly help me in lammps installation. the makefile .linux is also attached with this mail.
kindly help me in this problem.
WAITING FOR YOUR HELP
Muhammad Imran
Ph.d research student
The Islamia Uneversity of Bahawalpur.
Makefile.linux (2.69 KB)