UT theoretical chemistry code forum

Dear vtst users,

I am compiling vasp6.1.1 with vtst code, but encountered errors like below.
There is no error when I compile the original Vasp code. When I put the vtst-code (v6.1) in the vasp source directory and recompile, all the vtst codes throw errors of multiple definition.
I am using gcc9.2, openmpi3.1.6 and openblas to compile Vasp6.1.1.
Is there a fix for this?
Thank you very much in advance,
Best,
Geng


""
bfgs.o:(.bss+0x298): first defined here
bfgs.o: In function `__bfgs_MOD_bfgs_init':
bfgs.f90:(.text+0xf0): multiple definition of `__bfgs_MOD_bfgs_init'
bfgs.o:bfgs.f90:(.text+0xf0): first defined here
bfgs.o:(.bss+0x2ac): multiple definition of `__bfgs_MOD_iu6'
bfgs.o:(.bss+0x2ac): first defined here
bfgs.o: In function `__bfgs_MOD_bfgs_step':
bfgs.f90:(.text+0x230): multiple definition of `__bfgs_MOD_bfgs_step'
bfgs.o:bfgs.f90:(.text+0x230): first defined here
bfgs.o:(.bss+0x240): multiple definition of `__bfgs_MOD_r'
bfgs.o:(.bss+0x240): first defined here
bfgs.o:(.bss+0x460): multiple definition of `__bfgs_MOD_f'
bfgs.o:(.bss+0x460): first defined here
bfgs.o:(.bss+0x500): multiple definition of `__bfgs_MOD_dir2car'
bfgs.o:(.bss+0x500): first defined here


""

Hm, this is a little strange. The file you mention, bfgs, is not a file in the vtst code. Let's just start with the basics - make sure that you got the code files from the vtstcode/vtstcode6.1 directory. Then add the vtst objects in the /src/.objects file. Importantly, do a "make clean". I know these are not suggestions which directly address the problem that you mention, but my feeling is that the problem is something simple related to the build process and not a problem with the vtstcode.

Dear Prof. Henkelman,
Yes, I copied the file from vtstcode/vtstcode6.1,
and I also tried to start from scratch (using make veryclean in prior).
It was no luck,
I found these codes complain about the multiple definition errors:

bfgs.o
dynmat.o
instanton.o
lbfgs.o
sd.o
cg.o
dimer.o
bbm.o
fire.o
lanczos.o
neb.o
qm.o
opt.o

Best,

Geng

The long report is here:
mpif90 -fopenmp -o vasp c2f_interface.o nccl2for.o simd.o base.o profiling.o string.o tutor.o vhdf5_base.o reader_base.o openmp.o openacc_struct.o mpi.o mpi_shmem.o mathtools.o radial_struct.o pseudo_struct.o mgrid_struct.o wave_struct.o nl_struct.o mkpoints_full_struct.o phonon_struct.o fock_glb.o smart_allocate.o xml.o extpot_glb.o constant.o vdwforcefield_glb.o jacobi.o main_mpi.o openacc.o scala.o asa.o lattice.o poscar.o ini.o mgrid.o setex_struct.o xclib.o vdw_nl.o xclib_grad.o setex.o radial.o pseudo.o gridq.o ebs.o symlib.o mkpoints.o wave.o wave_mpi.o wave_high.o bext.o spinsym.o symmetry.o lattlib.o random.o nonl.o nonlr.o nonl_high.o dfast.o choleski2.o mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o hyperfine.o fock_ace.o paw.o mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o solvation.o pot.o tet.o dos.o elf.o hamil_rot.o bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o fire.o lanczos.o neb.o qm.o opt.o bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o fire.o lanczos.o neb.o qm.o opt.o chain.o dyna.o fileio.o vhdf5.o sphpro.o us.o core_rel.o aedens.o wavpre.o wavpre_noio.o broyden.o dynbr.o reader.o writer.o xml_writer.o brent.o stufak.o opergrid.o stepver.o chgloc.o fast_aug.o fock_multipole.o fock.o fock_dbl.o fock_frc.o mkpoints_change.o subrot_cluster.o sym_grad.o mymath.o npt_dynamics.o subdftd3.o subdftd4.o internals.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o hamil_high.o nmr.o pead.o k-proj.o subrot.o subrot_scf.o paircorrection.o rpa_force.o ml_interface.o force.o pwlhf.o gw_model.o optreal.o steep.o rmm-diis.o davidson.o david_inner.o lcao_bare.o locproj.o electron_common.o electron.o rot.o electron_all.o shm.o pardens.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o chi_glb.o subrot_lr.o lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o linear_optics.o setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o gauss_quad.o m_unirnk.o minimax_ini.o minimax_dependence.o minimax_functions1D.o minimax_functions2D.o minimax_struct.o minimax_varpro.o minimax.o mlwf.o wnpr.o ratpol.o pade_fit.o screened_2e.o wave_cacher.o crpa.o chi_base.o wpot.o local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o bse_te.o bse.o time_propagation.o acfdt.o rpax.o chi.o acfdt_GG.o dmft.o GG_base.o acont.o lt_mp2.o rnd_orb_mp2.o chi_GG.o GG_low_level.o chi_super.o sydmat.o rmm-diis_mlr.o linear_response_NMR.o wannier_interpol.o wave_interpolate.o linear_response.o auger.o dmatrix.o phonon.o elphon.o core_con_mat.o embed.o extpot.o fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o main.o -Llib -ldmy -Lparser -lparser -lscalapack -lopenblas -lfftw3 -lfftw3_omp -lstdc++
bfgs.o:(.bss+0x288): multiple definition of `__bfgs_MOD_nions'
bfgs.o:(.bss+0x288): first defined here
bfgs.o: In function `__bfgs_MOD_bfgs_init':
bfgs.f90:(.text+0xf0): multiple definition of `__bfgs_MOD_bfgs_init'
bfgs.o:bfgs.f90:(.text+0xf0): first defined here
bfgs.o:(.bss+0x29c): multiple definition of `__bfgs_MOD_iu6'
bfgs.o:(.bss+0x29c): first defined here
bfgs.o: In function `__bfgs_MOD_bfgs_step':
bfgs.f90:(.text+0x230): multiple definition of `__bfgs_MOD_bfgs_step'
bfgs.o:bfgs.f90:(.text+0x230): first defined here
bfgs.o:(.bss+0x240): multiple definition of `__bfgs_MOD_r'
bfgs.o:(.bss+0x240): first defined here
bfgs.o:(.bss+0x420): multiple definition of `__bfgs_MOD_f'
bfgs.o:(.bss+0x420): first defined here
bfgs.o:(.bss+0x4c0): multiple definition of `__bfgs_MOD_dir2car'
bfgs.o:(.bss+0x4c0): first defined here
bfgs.o:(.bss+0x5e0): multiple definition of `__bfgs_MOD_car2dir'
bfgs.o:(.bss+0x5e0): first defined here
bfgs.o:(.bss+0x410): multiple definition of `__bfgs_MOD_fdstep'
bfgs.o:(.bss+0x410): first defined here
bfgs.o:(.bss+0x140): multiple definition of `__bfgs_MOD_step'
bfgs.o:(.bss+0x140): first defined here
bfgs.o:(.bss+0x3c0): multiple definition of `__bfgs_MOD_fold'
bfgs.o:(.bss+0x3c0): first defined here
bfgs.o:(.bss+0x408): multiple definition of `__bfgs_MOD_finite_step'
bfgs.o:(.bss+0x408): first defined here
bfgs.o:(.bss+0x290): multiple definition of `__bfgs_MOD_maxmove'
bfgs.o:(.bss+0x290): first defined here
bfgs.o:(.bss+0x1e0): multiple definition of `__bfgs_MOD_rold'
bfgs.o:(.bss+0x1e0): first defined here
bfgs.o:(.bss+0x228): multiple definition of `__bfgs_MOD_reset_flag'
bfgs.o:(.bss+0x228): first defined here
bfgs.o:(.bss+0x520): multiple definition of `__bfgs_MOD_change_in_r'
bfgs.o:(.bss+0x520): first defined here
bfgs.o:(.bss+0x580): multiple definition of `__bfgs_MOD_change_in_g'
bfgs.o:(.bss+0x580): first defined here
bfgs.o:(.bss+0x1a0): multiple definition of `__bfgs_MOD_s'
bfgs.o:(.bss+0x1a0): first defined here
bfgs.o:(.bss+0x0): multiple definition of `__bfgs_MOD_y'
bfgs.o:(.bss+0x0): first defined here
bfgs.o:(.bss+0xe0): multiple definition of `__bfgs_MOD_sy'
bfgs.o:(.bss+0xe0): first defined here
bfgs.o:(.bss+0x2a0): multiple definition of `__bfgs_MOD_itr'
bfgs.o:(.bss+0x2a0): first defined here
bfgs.o:(.bss+0x2c0): multiple definition of `__bfgs_MOD_invh'
bfgs.o:(.bss+0x2c0): first defined here
bfgs.o:(.bss+0x308): multiple definition of `__bfgs_MOD_init_curvature'
bfgs.o:(.bss+0x308): first defined here
bfgs.o:(.bss+0x480): multiple definition of `__bfgs_MOD_direction'
bfgs.o:(.bss+0x480): first defined here
bfgs.o:(.bss+0x298): multiple definition of `__bfgs_MOD_line'
bfgs.o:(.bss+0x298): first defined here
bfgs.o:(.bss+0x40): multiple definition of `__bfgs_MOD_uu'
bfgs.o:(.bss+0x40): first defined here
bfgs.o:(.bss+0xa0): multiple definition of `__bfgs_MOD_u'
bfgs.o:(.bss+0xa0): first defined here
bfgs.o:(.bss+0x310): multiple definition of `__bfgs_MOD_im'
bfgs.o:(.bss+0x310): first defined here
bfgs.o:(.bss+0x314): multiple definition of `__bfgs_MOD_ik'
bfgs.o:(.bss+0x314): first defined here
bfgs.o:(.bss+0x318): multiple definition of `__bfgs_MOD_ij'
bfgs.o:(.bss+0x318): first defined here
bfgs.o:(.bss+0x320): multiple definition of `__bfgs_MOD_hyhy'
bfgs.o:(.bss+0x320): first defined here
bfgs.o:(.bss+0x380): multiple definition of `__bfgs_MOD_hy'
bfgs.o:(.bss+0x380): first defined here
bfgs.o:(.bss+0x508): multiple definition of `__bfgs_MOD_dfp'
bfgs.o:(.bss+0x508): first defined here
dynmat.o: In function `__dynmat_MOD_dynmat_init':
dynmat.f90:(.text+0x0): multiple definition of `__dynmat_MOD_dynmat_init'
dynmat.o:dynmat.f90:(.text+0x0): first defined here
dynmat.o:(.bss+0x0): multiple definition of `__dynmat_MOD_nions'
dynmat.o:(.bss+0x0): first defined here
dynmat.o:(.bss+0x4): multiple definition of `__dynmat_MOD_iu6'
dynmat.o:(.bss+0x4): first defined here
dynmat.o:(.bss+0x8): multiple definition of `__dynmat_MOD_iu0'
dynmat.o:(.bss+0x8): first defined here
dynmat.o: In function `__dynmat_MOD_dynmat_step':
dynmat.f90:(.text+0x1e0): multiple definition of `__dynmat_MOD_dynmat_step'
dynmat.o:dynmat.f90:(.text+0x1e0): first defined here
instanton.o:(.bss+0x478): multiple definition of `__instanton_MOD_ntot'
instanton.o:(.bss+0x478): first defined here
instanton.o:(.bss+0x488): multiple definition of `__instanton_MOD_nim'
instanton.o:(.bss+0x488): first defined here
instanton.o:(.bss+0xb40): multiple definition of `__instanton_MOD_f0'
instanton.o:(.bss+0xb40): first defined here
instanton.o:(.bss+0x0): multiple definition of `__instanton_MOD_w'
instanton.o:(.bss+0x0): first defined here
instanton.o:(.bss+0xc38): multiple definition of `__instanton_MOD_eig'
instanton.o:(.bss+0xc38): first defined here
instanton.o:(.bss+0xa60): multiple definition of `__instanton_MOD_fold'
instanton.o:(.bss+0xa60): first defined here
instanton.o:(.bss+0xcc0): multiple definition of `__instanton_MOD_dold'
instanton.o:(.bss+0xcc0): first defined here
instanton.o:(.data+0x10): multiple definition of `__instanton_MOD_line_step'
instanton.o:(.data+0x10): first defined here
instanton.o:(.bss+0x948): multiple definition of `__instanton_MOD_iu6'
instanton.o:(.bss+0x948): first defined here
instanton.o:(.bss+0xd80): multiple definition of `__instanton_MOD_d'
instanton.o:(.bss+0xd80): first defined here
instanton.o:(.bss+0xc40): multiple definition of `__instanton_MOD_du'
instanton.o:(.bss+0xc40): first defined here
instanton.o:(.bss+0x9a0): multiple definition of `__instanton_MOD_ftmp'
instanton.o:(.bss+0x9a0): first defined here
instanton.o:(.bss+0x220): multiple definition of `__instanton_MOD_r0'
instanton.o:(.bss+0x220): first defined here
instanton.o:(.bss+0xca8): multiple definition of `__instanton_MOD_dr'
instanton.o:(.bss+0xca8): first defined here
instanton.o:(.bss+0x1c0): multiple definition of `__instanton_MOD_rim'
instanton.o:(.bss+0x1c0): first defined here
instanton.o:(.bss+0x4d0): multiple definition of `__instanton_MOD_maxmove'
instanton.o:(.bss+0x4d0): first defined here
instanton.o:(.bss+0x180): multiple definition of `__instanton_MOD_u0'
instanton.o:(.bss+0x180): first defined here
instanton.o:(.bss+0x840): multiple definition of `__instanton_MOD_latt_b'
instanton.o:(.bss+0x840): first defined here
instanton.o:(.bss+0x8a0): multiple definition of `__instanton_MOD_latt_a'
instanton.o:(.bss+0x8a0): first defined here
instanton.o:(.bss+0xac0): multiple definition of `__instanton_MOD_fim'
instanton.o:(.bss+0xac0): first defined here
instanton.o:(.bss+0x140): multiple definition of `__instanton_MOD_uim'
instanton.o:(.bss+0x140): first defined here
instanton.o:(.bss+0xa00): multiple definition of `__instanton_MOD_fsp'
instanton.o:(.bss+0xa00): first defined here
instanton.o:(.bss+0xc0): multiple definition of `__instanton_MOD_usp'
instanton.o:(.bss+0xc0): first defined here
instanton.o:(.bss+0x900): multiple definition of `__instanton_MOD_ksp'
instanton.o:(.bss+0x900): first defined here
instanton.o:(.bss+0x520): multiple definition of `__instanton_MOD_linfo'
instanton.o:(.bss+0x520): first defined here
instanton.o:(.bss+0x4e0): multiple definition of `__instanton_MOD_mass'
instanton.o:(.bss+0x4e0): first defined here
instanton.o:(.bss+0x1b0): multiple definition of `__instanton_MOD_tpz'
instanton.o:(.bss+0x1b0): first defined here
instanton.o:(.bss+0x48c): multiple definition of `__instanton_MOD_ndof'
instanton.o:(.bss+0x48c): first defined here
instanton.o:(.bss+0x960): multiple definition of `__instanton_MOD_ifra'
instanton.o:(.bss+0x960): first defined here
instanton.o:(.bss+0x3a0): multiple definition of `__instanton_MOD_premat'
instanton.o:(.bss+0x3a0): first defined here
instanton.o: In function `__instanton_MOD_instanton_init':
instanton.f90:(.text+0x7bf0): multiple definition of `__instanton_MOD_instanton_init'
instanton.o:instanton.f90:(.text+0x7bf0): first defined here
instanton.o:(.bss+0x484): multiple definition of `__instanton_MOD_nions'
instanton.o:(.bss+0x484): first defined here
instanton.o:(.bss+0x950): multiple definition of `__instanton_MOD_iu0'
instanton.o:(.bss+0x950): first defined here
instanton.o:(.bss+0x94c): multiple definition of `__instanton_MOD_iu5'
instanton.o:(.bss+0x94c): first defined here
instanton.o:(.bss+0x510): multiple definition of `__instanton_MOD_ltol'
instanton.o:(.bss+0x510): first defined here
instanton.o:(.bss+0xca0): multiple definition of `__instanton_MOD_dt'
instanton.o:(.bss+0xca0): first defined here
instanton.o:(.bss+0x480): multiple definition of `__instanton_MOD_nl'
instanton.o:(.bss+0x480): first defined here
instanton.o:(.bss+0x990): multiple definition of `__instanton_MOD_ifcg'
instanton.o:(.bss+0x990): first defined here
instanton.o:(.bss+0xd24): multiple definition of `__instanton_MOD_do_ins'
instanton.o:(.bss+0xd24): first defined here
instanton.o:(.bss+0xd20): multiple definition of `__instanton_MOD_do_pre'
instanton.o:(.bss+0xd20): first defined here
instanton.o:(.bss+0x998): multiple definition of `__instanton_MOD_ftol'
instanton.o:(.bss+0x998): first defined here
instanton.o:(.bss+0x490): multiple definition of `__instanton_MOD_ndim'
instanton.o:(.bss+0x490): first defined here
instanton.o:(.bss+0x494): multiple definition of `__instanton_MOD_natypes'
instanton.o:(.bss+0x494): first defined here
instanton.o:(.bss+0x47c): multiple definition of `__instanton_MOD_node'
instanton.o:(.bss+0x47c): first defined here
instanton.o:(.bss+0x4a0): multiple definition of `__instanton_MOD_natoms'
instanton.o:(.bss+0x4a0): first defined here
instanton.o:(.bss+0x100): multiple definition of `__instanton_MOD_uins'
instanton.o:(.bss+0x100): first defined here
instanton.o:(.bss+0x280): multiple definition of `__instanton_MOD_r'
instanton.o:(.bss+0x280): first defined here
instanton.o:(.bss+0xba0): multiple definition of `__instanton_MOD_f'
instanton.o:(.bss+0xba0): first defined here
instanton.o:(.bss+0xe40): multiple definition of `__instanton_MOD_al'
instanton.o:(.bss+0xe40): first defined here
instanton.o:(.bss+0xe00): multiple definition of `__instanton_MOD_bl'
instanton.o:(.bss+0xe00): first defined here
instanton.o:(.bss+0xd40): multiple definition of `__instanton_MOD_dl'
instanton.o:(.bss+0xd40): first defined here
instanton.o:(.bss+0xc00): multiple definition of `__instanton_MOD_el'
instanton.o:(.bss+0xc00): first defined here
instanton.o:(.bss+0x400): multiple definition of `__instanton_MOD_pp'
instanton.o:(.bss+0x400): first defined here
instanton.o:(.bss+0x340): multiple definition of `__instanton_MOD_qq'
instanton.o:(.bss+0x340): first defined here
instanton.o:(.bss+0x2e0): multiple definition of `__instanton_MOD_qqold'
instanton.o:(.bss+0x2e0): first defined here
instanton.o:(.bss+0x60): multiple definition of `__instanton_MOD_vel'
instanton.o:(.bss+0x60): first defined here
instanton.o: In function `__instanton_MOD_instanton_step':
instanton.f90:(.text+0xb620): multiple definition of `__instanton_MOD_instanton_step'
instanton.o:instanton.f90:(.text+0xb620): first defined here
instanton.o:(.bss+0xb20): multiple definition of `__instanton_MOD_fc'
instanton.o:(.bss+0xb20): first defined here
instanton.o:(.bss+0xde0): multiple definition of `__instanton_MOD_converged'
instanton.o:(.bss+0xde0): first defined here
instanton.o:(.data+0xc): multiple definition of `__instanton_MOD_new'
instanton.o:(.data+0xc): first defined here
instanton.o:(.bss+0x954): multiple definition of `__instanton_MOD_itr'
instanton.o:(.bss+0x954): first defined here
instanton.o:(.bss+0x958): multiple definition of `__instanton_MOD_it'
instanton.o:(.bss+0x958): first defined here
instanton.o:(.bss+0xc30): multiple definition of `__instanton_MOD_eigold'
instanton.o:(.bss+0xc30): first defined here
lbfgs.o:(.bss+0x100): multiple definition of `__lbfgs_MOD_nions'
lbfgs.o:(.bss+0x100): first defined here
lbfgs.o:(.bss+0x3e0): multiple definition of `__lbfgs_MOD_car2dir'
lbfgs.o:(.bss+0x3e0): first defined here
lbfgs.o:(.bss+0x280): multiple definition of `__lbfgs_MOD_dir2car'
lbfgs.o:(.bss+0x280): first defined here
lbfgs.o: In function `__lbfgs_MOD_lbfgs_init':
lbfgs.f90:(.text+0x90): multiple definition of `__lbfgs_MOD_lbfgs_init'
lbfgs.o:lbfgs.f90:(.text+0x90): first defined here
lbfgs.o:(.bss+0x104): multiple definition of `__lbfgs_MOD_memory'
lbfgs.o:(.bss+0x104): first defined here
lbfgs.o:(.bss+0x114): multiple definition of `__lbfgs_MOD_iu6'
lbfgs.o:(.bss+0x114): first defined here
lbfgs.o:(.bss+0x1a0): multiple definition of `__lbfgs_MOD_finite_step'
lbfgs.o:(.bss+0x1a0): first defined here
lbfgs.o:(.bss+0x108): multiple definition of `__lbfgs_MOD_maxmove'
lbfgs.o:(.bss+0x108): first defined here
lbfgs.o:(.bss+0x12c): multiple definition of `__lbfgs_MOD_global'
lbfgs.o:(.bss+0x12c): first defined here
lbfgs.o:(.bss+0x110): multiple definition of `__lbfgs_MOD_lineopt'
lbfgs.o:(.bss+0x110): first defined here
lbfgs.o:(.bss+0x428): multiple definition of `__lbfgs_MOD_autoscale'
lbfgs.o:(.bss+0x428): first defined here
lbfgs.o:(.bss+0x120): multiple definition of `__lbfgs_MOD_invcurv'
lbfgs.o:(.bss+0x120): first defined here
lbfgs.o:(.bss+0x2c8): multiple definition of `__lbfgs_MOD_damping'
lbfgs.o:(.bss+0x2c8): first defined here
lbfgs.o:(.bss+0x128): multiple definition of `__lbfgs_MOD_images_local'
lbfgs.o:(.bss+0x128): first defined here
lbfgs.o:(.bss+0x60): multiple definition of `__lbfgs_MOD_rho'
lbfgs.o:(.bss+0x60): first defined here
lbfgs.o:(.bss+0x440): multiple definition of `__lbfgs_MOD_alpha'
lbfgs.o:(.bss+0x440): first defined here
lbfgs.o:(.bss+0x360): multiple definition of `__lbfgs_MOD_change_in_g'
lbfgs.o:(.bss+0x360): first defined here
lbfgs.o:(.bss+0x2e0): multiple definition of `__lbfgs_MOD_change_in_r'
lbfgs.o:(.bss+0x2e0): first defined here
lbfgs.o:(.bss+0xa0): multiple definition of `__lbfgs_MOD_r'
lbfgs.o:(.bss+0xa0): first defined here
lbfgs.o:(.bss+0x0): multiple definition of `__lbfgs_MOD_rold'
lbfgs.o:(.bss+0x0): first defined here
lbfgs.o:(.bss+0x1c0): multiple definition of `__lbfgs_MOD_f'
lbfgs.o:(.bss+0x1c0): first defined here
lbfgs.o:(.bss+0x140): multiple definition of `__lbfgs_MOD_fold'
lbfgs.o:(.bss+0x140): first defined here
lbfgs.o:(.bss+0x220): multiple definition of `__lbfgs_MOD_direction'
lbfgs.o:(.bss+0x220): first defined here
lbfgs.o:(.bss+0x118): multiple definition of `__lbfgs_MOD_itr'
lbfgs.o:(.bss+0x118): first defined here
lbfgs.o:(.bss+0x90): multiple definition of `__lbfgs_MOD_reset_flag'
lbfgs.o:(.bss+0x90): first defined here
lbfgs.o:(.bss+0x1a8): multiple definition of `__lbfgs_MOD_fdstep'
lbfgs.o:(.bss+0x1a8): first defined here
lbfgs.o: In function `__lbfgs_MOD_lbfgs_step':
lbfgs.f90:(.text+0x1ff0): multiple definition of `__lbfgs_MOD_lbfgs_step'
lbfgs.o:lbfgs.f90:(.text+0x1ff0): first defined here
sd.o: In function `__sd_MOD_sd_init':
sd.f90:(.text+0x0): multiple definition of `__sd_MOD_sd_init'
sd.o:sd.f90:(.text+0x0): first defined here
sd.o:(.bss+0xa8): multiple definition of `__sd_MOD_nions'
sd.o:(.bss+0xa8): first defined here
sd.o:(.bss+0xb8): multiple definition of `__sd_MOD_iu6'
sd.o:(.bss+0xb8): first defined here
sd.o:(.bss+0xc0): multiple definition of `__sd_MOD_alpha'
sd.o:(.bss+0xc0): first defined here
sd.o:(.bss+0xb0): multiple definition of `__sd_MOD_maxmove'
sd.o:(.bss+0xb0): first defined here
sd.o:(.bss+0x0): multiple definition of `__sd_MOD_step'
sd.o:(.bss+0x0): first defined here
sd.o:(.bss+0x60): multiple definition of `__sd_MOD_r'
sd.o:(.bss+0x60): first defined here
sd.o: In function `__sd_MOD_sd_step':
sd.f90:(.text+0x4d0): multiple definition of `__sd_MOD_sd_step'
sd.o:sd.f90:(.text+0x4d0): first defined here
cg.o: In function `__cg_MOD_cg_init':
cg.f90:(.text+0x0): multiple definition of `__cg_MOD_cg_init'
cg.o:cg.f90:(.text+0x0): first defined here
cg.o:(.bss+0x48): multiple definition of `__cg_MOD_nions'
cg.o:(.bss+0x48): first defined here
cg.o:(.bss+0x5c): multiple definition of `__cg_MOD_iu0'
cg.o:(.bss+0x5c): first defined here
cg.o:(.bss+0x58): multiple definition of `__cg_MOD_iu6'
cg.o:(.bss+0x58): first defined here
cg.o:(.bss+0x168): multiple definition of `__cg_MOD_finite_step'
cg.o:(.bss+0x168): first defined here
cg.o:(.bss+0x50): multiple definition of `__cg_MOD_maxmove'
cg.o:(.bss+0x50): first defined here
cg.o:(.bss+0x120): multiple definition of `__cg_MOD_fold'
cg.o:(.bss+0x120): first defined here
cg.o:(.bss+0x0): multiple definition of `__cg_MOD_r'
cg.o:(.bss+0x0): first defined here
cg.o:(.bss+0xc0): multiple definition of `__cg_MOD_g'
cg.o:(.bss+0xc0): first defined here
cg.o:(.bss+0x60): multiple definition of `__cg_MOD_g_unit'
cg.o:(.bss+0x60): first defined here
cg.o:(.bss+0x170): multiple definition of `__cg_MOD_fdstep'
cg.o:(.bss+0x170): first defined here
cg.o: In function `__cg_MOD_cg_step':
cg.f90:(.text+0x650): multiple definition of `__cg_MOD_cg_step'
cg.o:cg.f90:(.text+0x650): first defined here
dimer.o:(.bss+0x500): multiple definition of `__dimer_MOD_dinfo'
dimer.o:(.bss+0x500): first defined here
dimer.o:(.bss+0xe8): multiple definition of `__dimer_MOD_nions'
dimer.o:(.bss+0xe8): first defined here
dimer.o:(.bss+0x164): multiple definition of `__dimer_MOD_i'
dimer.o:(.bss+0x164): first defined here
dimer.o:(.bss+0x840): multiple definition of `__dimer_MOD_b'
dimer.o:(.bss+0x840): first defined here
dimer.o:(.bss+0x14c): multiple definition of `__dimer_MOD_j'
dimer.o:(.bss+0x14c): first defined here
dimer.o:(.bss+0x8a0): multiple definition of `__dimer_MOD_a'
dimer.o:(.bss+0x8a0): first defined here
dimer.o:(.bss+0x150): multiple definition of `__dimer_MOD_iu6'
dimer.o:(.bss+0x150): first defined here
dimer.o:(.bss+0x320): multiple definition of `__dimer_MOD_feff'
dimer.o:(.bss+0x320): first defined here
dimer.o:(.bss+0x100): multiple definition of `__dimer_MOD_n'
dimer.o:(.bss+0x100): first defined here
dimer.o:(.bss+0x440): multiple definition of `__dimer_MOD_f0'
dimer.o:(.bss+0x440): first defined here
dimer.o:(.bss+0x830): multiple definition of `__dimer_MOD_cn'
dimer.o:(.bss+0x830): first defined here
dimer.o:(.bss+0x368): multiple definition of `__dimer_MOD_fdstep'
dimer.o:(.bss+0x368): first defined here
dimer.o:(.bss+0x2c0): multiple definition of `__dimer_MOD_fn'
dimer.o:(.bss+0x2c0): first defined here
dimer.o:(.bss+0x240): multiple definition of `__dimer_MOD_fnold'
dimer.o:(.bss+0x240): first defined here
dimer.o:(.bss+0x838): multiple definition of `__dimer_MOD_cginitflag'
dimer.o:(.bss+0x838): first defined here
dimer.o:(.bss+0x1e0): multiple definition of `__dimer_MOD_gn'
dimer.o:(.bss+0x1e0): first defined here
dimer.o:(.bss+0x228): multiple definition of `__dimer_MOD_gamn'
dimer.o:(.bss+0x228): first defined here
dimer.o:(.bss+0x180): multiple definition of `__dimer_MOD_gnu'
dimer.o:(.bss+0x180): first defined here
dimer.o:(.bss+0x2a8): multiple definition of `__dimer_MOD_fn1'
dimer.o:(.bss+0x2a8): first defined here
dimer.o:(.bss+0x40): multiple definition of `__dimer_MOD_r0'
dimer.o:(.bss+0x40): first defined here
dimer.o:(.bss+0x4f0): multiple definition of `__dimer_MOD_dr'
dimer.o:(.bss+0x4f0): first defined here
dimer.o:(.bss+0xa0): multiple definition of `__dimer_MOD_r'
dimer.o:(.bss+0xa0): first defined here
dimer.o:(.bss+0x828): multiple definition of `__dimer_MOD_cn1'
dimer.o:(.bss+0x828): first defined here
dimer.o:(.bss+0x230): multiple definition of `__dimer_MOD_fnr'
dimer.o:(.bss+0x230): first defined here
dimer.o:(.bss+0x2a0): multiple definition of `__dimer_MOD_fn1r'
dimer.o:(.bss+0x2a0): first defined here
dimer.o:(.bss+0x1c): multiple definition of `__dimer_MOD_rotnum'
dimer.o:(.bss+0x1c): first defined here
dimer.o:(.bss+0x298): multiple definition of `__dimer_MOD_fn2'
dimer.o:(.bss+0x298): first defined here
dimer.o:(.bss+0x10): multiple definition of `__dimer_MOD_th'
dimer.o:(.bss+0x10): first defined here
dimer.o:(.bss+0x15c): multiple definition of `__dimer_MOD_itr'
dimer.o:(.bss+0x15c): first defined here
dimer.o:(.bss+0x428): multiple definition of `__dimer_MOD_f0r'
dimer.o:(.bss+0x428): first defined here
dimer.o:(.bss+0x0): multiple definition of `__dimer_MOD_u0'
dimer.o:(.bss+0x0): first defined here
dimer.o: In function `__dimer_MOD_dimer_fin':
dimer.f90:(.text+0x3720): multiple definition of `__dimer_MOD_dimer_fin'
dimer.o:dimer.f90:(.text+0x3720): first defined here
dimer.o: In function `__dimer_MOD_dimer_step':
dimer.f90:(.text+0x3800): multiple definition of `__dimer_MOD_dimer_step'
dimer.o:dimer.f90:(.text+0x3800): first defined here
dimer.o:(.bss+0x4a0): multiple definition of `__dimer_MOD_f'
dimer.o:(.bss+0x4a0): first defined here
dimer.o:(.bss+0x8): multiple definition of `__dimer_MOD_u'
dimer.o:(.bss+0x8): first defined here
dimer.o:(.bss+0x160): multiple definition of `__dimer_MOD_initflag'
dimer.o:(.bss+0x160): first defined here
dimer.o:(.bss+0xec): multiple definition of `__dimer_MOD_newflag'
dimer.o:(.bss+0xec): first defined here
dimer.o:(.bss+0x3e0): multiple definition of `__dimer_MOD_f1'
dimer.o:(.bss+0x3e0): first defined here
dimer.o:(.bss+0x380): multiple definition of `__dimer_MOD_f2'
dimer.o:(.bss+0x380): first defined here
dimer.o:(.bss+0x288): multiple definition of `__dimer_MOD_fnmin'
dimer.o:(.bss+0x288): first defined here
dimer.o:(.bss+0x148): multiple definition of `__dimer_MOD_modecarflag'
dimer.o:(.bss+0x148): first defined here
dimer.o:(.bss+0x20): multiple definition of `__dimer_MOD_rotmax'
dimer.o:(.bss+0x20): first defined here
dimer.o:(.bss+0x290): multiple definition of `__dimer_MOD_fnmax'
dimer.o:(.bss+0x290): first defined here
dimer.o: In function `__dimer_MOD_dimer_init':
dimer.f90:(.text+0x7230): multiple definition of `__dimer_MOD_dimer_init'
dimer.o:dimer.f90:(.text+0x7230): first defined here
dimer.o:(.bss+0x158): multiple definition of `__dimer_MOD_iu0'
dimer.o:(.bss+0x158): first defined here
dimer.o:(.bss+0x154): multiple definition of `__dimer_MOD_iu5'
dimer.o:(.bss+0x154): first defined here
dimer.o:(.bss+0x18): multiple definition of `__dimer_MOD_seed'
dimer.o:(.bss+0x18): first defined here
dimer.o:(.bss+0x36c): multiple definition of `__dimer_MOD_fdflag'
dimer.o:(.bss+0x36c): first defined here
dimer.o:(.bss+0x4e8): multiple definition of `__dimer_MOD_dth'
dimer.o:(.bss+0x4e8): first defined here
dimer.o:(.bss+0x820): multiple definition of `__dimer_MOD_cth'
dimer.o:(.bss+0x820): first defined here
bbm.o: In function `__bbm_MOD_bbm_step':
bbm.f90:(.text+0x150): multiple definition of `__bbm_MOD_bbm_step'
bbm.o:bbm.f90:(.text+0x150): first defined here
bbm.o:(.bss+0xf0): multiple definition of `__bbm_MOD_ntbs'
bbm.o:(.bss+0xf0): first defined here
bbm.o:(.bss+0xf8): multiple definition of `__bbm_MOD_nions'
bbm.o:(.bss+0xf8): first defined here
bbm.o:(.bss+0x268): multiple definition of `__bbm_MOD_bpotim'
bbm.o:(.bss+0x268): first defined here
bbm.o:(.bss+0x90): multiple definition of `__bbm_MOD_rmds'
bbm.o:(.bss+0x90): first defined here
bbm.o:(.bss+0x100): multiple definition of `__bbm_MOD_nbas'
bbm.o:(.bss+0x100): first defined here
bbm.o:(.bss+0x280): multiple definition of `__bbm_MOD_balist'
bbm.o:(.bss+0x280): first defined here
bbm.o:(.bss+0xf4): multiple definition of `__bbm_MOD_nrms'
bbm.o:(.bss+0xf4): first defined here
bbm.o:(.bss+0x60): multiple definition of `__bbm_MOD_rmlist'
bbm.o:(.bss+0x60): first defined here
bbm.o:(.bss+0x0): multiple definition of `__bbm_MOD_t_ratm'
bbm.o:(.bss+0x0): first defined here
bbm.o:(.bss+0x2c0): multiple definition of `__bbm_MOD_ave_t_bond'
bbm.o:(.bss+0x2c0): first defined here
bbm.o:(.bss+0x244): multiple definition of `__bbm_MOD_iu6'
bbm.o:(.bss+0x244): first defined here
bbm.o:(.bss+0xfc): multiple definition of `__bbm_MOD_nbbs'
bbm.o:(.bss+0xfc): first defined here
bbm.o:(.bss+0x300): multiple definition of `__bbm_MOD_atomr'
bbm.o:(.bss+0x300): first defined here
bbm.o:(.bss+0xa8): multiple definition of `__bbm_MOD_prr'
bbm.o:(.bss+0xa8): first defined here
bbm.o:(.bss+0xa0): multiple definition of `__bbm_MOD_qrr'
bbm.o:(.bss+0xa0): first defined here
bbm.o:(.bss+0xc0): multiple definition of `__bbm_MOD_ori_bond'
bbm.o:(.bss+0xc0): first defined here
bbm.o:(.bss+0x108): multiple definition of `__bbm_MOD_lbbm'
bbm.o:(.bss+0x108): first defined here
bbm.o:(.bss+0x260): multiple definition of `__bbm_MOD_btebeg'
bbm.o:(.bss+0x260): first defined here
bbm.o:(.bss+0x258): multiple definition of `__bbm_MOD_dvmax'
bbm.o:(.bss+0x258): first defined here
bbm.o:(.bss+0x98): multiple definition of `__bbm_MOD_rcut'
bbm.o:(.bss+0x98): first defined here
bbm.o: In function `__bbm_MOD_bbm_init':
bbm.f90:(.text+0x2a60): multiple definition of `__bbm_MOD_bbm_init'
bbm.o:bbm.f90:(.text+0x2a60): first defined here
bbm.o:(.bss+0x24c): multiple definition of `__bbm_MOD_iu0'
bbm.o:(.bss+0x24c): first defined here
bbm.o:(.bss+0x248): multiple definition of `__bbm_MOD_iu5'
bbm.o:(.bss+0x248): first defined here
bbm.o:(.bss+0x104): multiple definition of `__bbm_MOD_n'
bbm.o:(.bss+0x104): first defined here
bbm.o:(.bss+0xb0): multiple definition of `__bbm_MOD_potim'
bbm.o:(.bss+0xb0): first defined here
bbm.o:(.bss+0x250): multiple definition of `__bbm_MOD_i'
bbm.o:(.bss+0x250): first defined here
bbm.o:(.bss+0x240): multiple definition of `__bbm_MOD_j'
bbm.o:(.bss+0x240): first defined here
bbm.o:(.bss+0x120): multiple definition of `__bbm_MOD_l'
bbm.o:(.bss+0x120): first defined here
fire.o: In function `__fire_MOD_fire_init':
fire.f90:(.text+0x0): multiple definition of `__fire_MOD_fire_init'
fire.o:fire.f90:(.text+0x0): first defined here
fire.o:(.bss+0x114): multiple definition of `__fire_MOD_nions'
fire.o:(.bss+0x114): first defined here
fire.o:(.bss+0x124): multiple definition of `__fire_MOD_iu0'
fire.o:(.bss+0x124): first defined here
fire.o:(.bss+0x120): multiple definition of `__fire_MOD_iu6'
fire.o:(.bss+0x120): first defined here
fire.o:(.bss+0x118): multiple definition of `__fire_MOD_maxmove'
fire.o:(.bss+0x118): first defined here
fire.o:(.bss+0x150): multiple definition of `__fire_MOD_dt'
fire.o:(.bss+0x150): first defined here
fire.o:(.bss+0x148): multiple definition of `__fire_MOD_dtmax'
fire.o:(.bss+0x148): first defined here
fire.o:(.bss+0x130): multiple definition of `__fire_MOD_finc'
fire.o:(.bss+0x130): first defined here
fire.o:(.bss+0x138): multiple definition of `__fire_MOD_fdec'
fire.o:(.bss+0x138): first defined here
fire.o:(.bss+0x140): multiple definition of `__fire_MOD_fadec'
fire.o:(.bss+0x140): first defined here
fire.o:(.bss+0x210): multiple definition of `__fire_MOD_alpha_start'
fire.o:(.bss+0x210): first defined here
fire.o:(.bss+0x110): multiple definition of `__fire_MOD_nmin'
fire.o:(.bss+0x110): first defined here
fire.o:(.bss+0x108): multiple definition of `__fire_MOD_qmflag'
fire.o:(.bss+0x108): first defined here
fire.o:(.bss+0x60): multiple definition of `__fire_MOD_step'
fire.o:(.bss+0x60): first defined here
fire.o:(.bss+0x0): multiple definition of `__fire_MOD_velocity'
fire.o:(.bss+0x0): first defined here
fire.o:(.bss+0xc0): multiple definition of `__fire_MOD_r'
fire.o:(.bss+0xc0): first defined here
fire.o:(.bss+0x160): multiple definition of `__fire_MOD_cvelocity'
fire.o:(.bss+0x160): first defined here
fire.o:(.bss+0x10c): multiple definition of `__fire_MOD_nsteps'
fire.o:(.bss+0x10c): first defined here
fire.o:(.bss+0x208): multiple definition of `__fire_MOD_cell_flag'
fire.o:(.bss+0x208): first defined here
fire.o:(.bss+0x218): multiple definition of `__fire_MOD_alpha'
fire.o:(.bss+0x218): first defined here
fire.o:(.bss+0x128): multiple definition of `__fire_MOD_isif_local'
fire.o:(.bss+0x128): first defined here
fire.o: In function `__fire_MOD_fire_step':
fire.f90:(.text+0x11c0): multiple definition of `__fire_MOD_fire_step'
fire.o:fire.f90:(.text+0x11c0): first defined here
fire.o:(.bss+0x1c0): multiple definition of `__fire_MOD_cstep'
fire.o:(.bss+0x1c0): first defined here
lanczos.o:(.bss+0x660): multiple definition of `__lanczos_MOD_feff'
lanczos.o:(.bss+0x660): first defined here
lanczos.o:(.bss+0x2a0): multiple definition of `__lanczos_MOD_nl'
lanczos.o:(.bss+0x2a0): first defined here
lanczos.o:(.bss+0x7b0): multiple definition of `__lanczos_MOD_dr'
lanczos.o:(.bss+0x7b0): first defined here
lanczos.o:(.bss+0x2a8): multiple definition of `__lanczos_MOD_ltol'
lanczos.o:(.bss+0x2a8): first defined here
lanczos.o:(.bss+0x2a4): multiple definition of `__lanczos_MOD_nions'
lanczos.o:(.bss+0x2a4): first defined here
lanczos.o:(.bss+0x60): multiple definition of `__lanczos_MOD_w'
lanczos.o:(.bss+0x60): first defined here
lanczos.o:(.bss+0x120): multiple definition of `__lanczos_MOD_r'
lanczos.o:(.bss+0x120): first defined here
lanczos.o:(.bss+0x720): multiple definition of `__lanczos_MOD_f'
lanczos.o:(.bss+0x720): first defined here
lanczos.o: In function `__lanczos_MOD_lanczos_init':
lanczos.f90:(.text+0xd10): multiple definition of `__lanczos_MOD_lanczos_init'
lanczos.o:lanczos.f90:(.text+0xd10): first defined here
lanczos.o:(.bss+0x2c0): multiple definition of `__lanczos_MOD_linfo'
lanczos.o:(.bss+0x2c0): first defined here
lanczos.o:(.bss+0x5e8): multiple definition of `__lanczos_MOD_iu0'
lanczos.o:(.bss+0x5e8): first defined here
lanczos.o:(.bss+0x5e4): multiple definition of `__lanczos_MOD_iu5'
lanczos.o:(.bss+0x5e4): first defined here
lanczos.o:(.bss+0x5e0): multiple definition of `__lanczos_MOD_iu6'
lanczos.o:(.bss+0x5e0): first defined here
lanczos.o:(.bss+0x1e0): multiple definition of `__lanczos_MOD_qq'
lanczos.o:(.bss+0x1e0): first defined here
lanczos.o:(.bss+0x180): multiple definition of `__lanczos_MOD_qqold'
lanczos.o:(.bss+0x180): first defined here
lanczos.o:(.bss+0x6c0): multiple definition of `__lanczos_MOD_f0'
lanczos.o:(.bss+0x6c0): first defined here
lanczos.o:(.bss+0xc0): multiple definition of `__lanczos_MOD_r0'
lanczos.o:(.bss+0xc0): first defined here
lanczos.o:(.bss+0x0): multiple definition of `__lanczos_MOD_z'
lanczos.o:(.bss+0x0): first defined here
lanczos.o:(.bss+0x240): multiple definition of `__lanczos_MOD_pp'
lanczos.o:(.bss+0x240): first defined here
lanczos.o:(.bss+0x7c0): multiple definition of `__lanczos_MOD_d'
lanczos.o:(.bss+0x7c0): first defined here
lanczos.o:(.bss+0x780): multiple definition of `__lanczos_MOD_e'
lanczos.o:(.bss+0x780): first defined here
lanczos.o:(.bss+0x840): multiple definition of `__lanczos_MOD_aa'
lanczos.o:(.bss+0x840): first defined here
lanczos.o:(.bss+0x800): multiple definition of `__lanczos_MOD_bb'
lanczos.o:(.bss+0x800): first defined here
lanczos.o: In function `__lanczos_MOD_lanczos_step':
lanczos.f90:(.text+0x1a50): multiple definition of `__lanczos_MOD_lanczos_step'
lanczos.o:lanczos.f90:(.text+0x1a50): first defined here
lanczos.o:(.bss+0x600): multiple definition of `__lanczos_MOD_fpar'
lanczos.o:(.bss+0x600): first defined here
neb.o:(.bss+0x80): multiple definition of `__neb_MOD_nions'
neb.o:(.bss+0x80): first defined here
neb.o: In function `__neb_MOD_neb_init':
neb.f90:(.text+0x590): multiple definition of `__neb_MOD_neb_init'
neb.o:neb.f90:(.text+0x590): first defined here
neb.o:(.bss+0x168): multiple definition of `__neb_MOD_iu6'
neb.o:(.bss+0x168): first defined here
neb.o:(.bss+0x16c): multiple definition of `__neb_MOD_iu0'
neb.o:(.bss+0x16c): first defined here
neb.o:(.bss+0x538): multiple definition of `__neb_MOD_cell_flag'
neb.o:(.bss+0x538): first defined here
neb.o:(.bss+0x0): multiple definition of `__neb_MOD_spring'
neb.o:(.bss+0x0): first defined here
neb.o:(.bss+0x90): multiple definition of `__neb_MOD_lclimb'
neb.o:(.bss+0x90): first defined here
neb.o:(.bss+0x84): multiple definition of `__neb_MOD_ltangentold'
neb.o:(.bss+0x84): first defined here
neb.o:(.bss+0x8c): multiple definition of `__neb_MOD_ldneb'
neb.o:(.bss+0x8c): first defined here
neb.o:(.bss+0x88): multiple definition of `__neb_MOD_ldneborg'
neb.o:(.bss+0x88): first defined here
neb.o:(.bss+0x530): multiple definition of `__neb_MOD_energy_first'
neb.o:(.bss+0x530): first defined here
neb.o:(.bss+0x528): multiple definition of `__neb_MOD_energy_last'
neb.o:(.bss+0x528): first defined here
neb.o:(.bss+0x20): multiple definition of `__neb_MOD_posion_all'
neb.o:(.bss+0x20): first defined here
neb.o:(.bss+0x100): multiple definition of `__neb_MOD_latt_a_all'
neb.o:(.bss+0x100): first defined here
neb.o:(.bss+0xa0): multiple definition of `__neb_MOD_latt_b_all'
neb.o:(.bss+0xa0): first defined here
neb.o:(.bss+0x160): multiple definition of `__neb_MOD_jacobian'
neb.o:(.bss+0x160): first defined here
neb.o: In function `__neb_MOD_neb_step':
neb.f90:(.text+0x20a0): multiple definition of `__neb_MOD_neb_step'
neb.o:neb.f90:(.text+0x20a0): first defined here
neb.o:(.bss+0x4e0): multiple definition of `__neb_MOD_h'
neb.o:(.bss+0x4e0): first defined here
neb.o:(.bss+0x240): multiple definition of `__neb_MOD_hinv'
neb.o:(.bss+0x240): first defined here
neb.o:(.bss+0x420): multiple definition of `__neb_MOD_h_prev'
neb.o:(.bss+0x420): first defined here
neb.o:(.bss+0x480): multiple definition of `__neb_MOD_h_next'
neb.o:(.bss+0x480): first defined here
neb.o:(.bss+0x360): multiple definition of `__neb_MOD_havg_prev'
neb.o:(.bss+0x360): first defined here
neb.o:(.bss+0x3c0): multiple definition of `__neb_MOD_havg_next'
neb.o:(.bss+0x3c0): first defined here
neb.o:(.bss+0x180): multiple definition of `__neb_MOD_hinv_prev'
neb.o:(.bss+0x180): first defined here
neb.o:(.bss+0x1e0): multiple definition of `__neb_MOD_hinv_next'
neb.o:(.bss+0x1e0): first defined here
neb.o:(.bss+0x2a0): multiple definition of `__neb_MOD_havginv_prev'
neb.o:(.bss+0x2a0): first defined here
neb.o:(.bss+0x300): multiple definition of `__neb_MOD_havginv_next'
neb.o:(.bss+0x300): first defined here
qm.o: In function `__qm_MOD_qm_init':
qm.f90:(.text+0x0): multiple definition of `__qm_MOD_qm_init'
qm.o:qm.f90:(.text+0x0): first defined here
qm.o:(.bss+0x108): multiple definition of `__qm_MOD_nions'
qm.o:(.bss+0x108): first defined here
qm.o:(.bss+0x11c): multiple definition of `__qm_MOD_iu0'
qm.o:(.bss+0x11c): first defined here
qm.o:(.bss+0x118): multiple definition of `__qm_MOD_iu6'
qm.o:(.bss+0x118): first defined here
qm.o:(.bss+0x110): multiple definition of `__qm_MOD_maxmove'
qm.o:(.bss+0x110): first defined here
qm.o:(.bss+0x128): multiple definition of `__qm_MOD_dt'
qm.o:(.bss+0x128): first defined here
qm.o:(.bss+0x60): multiple definition of `__qm_MOD_step'
qm.o:(.bss+0x60): first defined here
qm.o:(.bss+0x0): multiple definition of `__qm_MOD_velocity'
qm.o:(.bss+0x0): first defined here
qm.o:(.bss+0xc0): multiple definition of `__qm_MOD_r'
qm.o:(.bss+0xc0): first defined here
qm.o:(.bss+0x140): multiple definition of `__qm_MOD_cvelocity'
qm.o:(.bss+0x140): first defined here
qm.o:(.bss+0x1e8): multiple definition of `__qm_MOD_cell_flag'
qm.o:(.bss+0x1e8): first defined here
qm.o:(.bss+0x120): multiple definition of `__qm_MOD_isif_local'
qm.o:(.bss+0x120): first defined here
qm.o: In function `__qm_MOD_qm_step':
qm.f90:(.text+0x7d0): multiple definition of `__qm_MOD_qm_step'
qm.o:qm.f90:(.text+0x7d0): first defined here
qm.o:(.bss+0x1a0): multiple definition of `__qm_MOD_cstep'
qm.o:(.bss+0x1a0): first defined here
opt.o: In function `__opt_MOD_opt_init':
opt.f90:(.text+0x0): multiple definition of `__opt_MOD_opt_init'
opt.o:opt.f90:(.text+0x0): first defined here
opt.o:(.bss+0x8): multiple definition of `__opt_MOD_iopt'
opt.o:(.bss+0x8): first defined here
opt.o:(.bss+0x4): multiple definition of `__opt_MOD_iu6'
opt.o:(.bss+0x4): first defined here
opt.o: In function `__opt_MOD_opt_step':
opt.f90:(.text+0xb20): multiple definition of `__opt_MOD_opt_step'
opt.o:opt.f90:(.text+0xb20): first defined here
opt.o:(.bss+0x0): multiple definition of `__opt_MOD_nions'
opt.o:(.bss+0x0): first defined here
collect2: error: ld returned 1 exit status

Ok, so first, you are right that bfgs.F is our file - I had forgotten about that!

I think the problem is that you have somehow included the VTST objects twice. If you look at your link line, you can see:

... bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o fire.o lanczos.o neb.o qm.o opt.o bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o ...

check your .objects file to see how that happened.

Dear Prof. Henkelman,
Thank you very much,
Indeed, I made a mistake and inserted the object files *.o twice in the file .objects.
I removed the duplicated lines and and then the compiling goes smoothly.
Thank you very much.

Best
Geng

Great to hear when things work out.