Removing -fsecond-underscore gives a new set of errors. According to dalton user mailing list, these errors are explicitally overcome by addind "-fsecond-underscore" due to gfortran inside mpif77.
Here is the new set of errors:
---------------> Linking sequential dalton.x ...
mpif77 -march=x86-64 -O3 -ffast-math -fexpensive-optimizations -funroll-loops -fno-range-check \
-o /mnt/sda6/home/dalton-2.0/bin/dalton.x abacus/dalton.o cc/crayio.o abacus/linux_mem_allo.o \
abacus/herpar.o eri/eri2par.o amfi/amfi.o amfi/symtra.o gp/mpi_dummy.o -Labacus -labacus -Lrsp -lrsp -Lsirius -lsirius -labacus -Leri -leri -Ldensfit -ldensfit -Lcc -lcc -Ldft -ldft -Lgp -lgp -Lpdpack -lpdpack -L/usr/lib -llapack -lblas
eri/eri2par.o: In function `nodstr_':
eri2par.F:(.text+0x41ac): undefined reference to `dft_cslave_'
rsp/librsp.a(rspoli.o): In function `rspoli_':
rspoli.F:(.text+0x1fbb): undefined reference to `dft_lin_respab_'
rspoli.F:(.text+0x2bf9): undefined reference to `dft_lin_respf_'
sirius/libsirius.a(sirdiis.o): In function `dft_add_ks_':
sirdiis.F:(.text+0x2598): undefined reference to `dft_kohn_shamab_'
sirius/libsirius.a(sirlintrn.o): In function `master.0.lintrn_':
sirlintrn.F:(.text+0x3d6f): undefined reference to `dft_lin_respf_'
sirius/libsirius.a(sirtr1.o): In function `tr1fcy_':
sirtr1.F:(.text+0xc8fa): undefined reference to `dft_lin_respf_'
dft/libdft.a(general.o): In function `fort_print':
general.c:(.text+0x2b0): undefined reference to `fort_wrt__'
dft/libdft.a(grid-gen.o): In function `gen_lmg_init':
grid-gen.c:(.text+0x4c35): undefined reference to `get_maxl_nucind__'
dft/libdft.a(grid-gen.o): In function `grid_gen_atom_new':
grid-gen.c:(.text+0x4d05): undefined reference to `get_no_atoms__'
grid-gen.c:(.text+0x4d83): undefined reference to `get_atom_by_icent__'
dft/libdft.a(grid-gen.o): In function `grid_generate':
grid-gen.c:(.text+0x5d9c): undefined reference to `ishell_cnt__'
grid-gen.c:(.text+0x5dd7): undefined reference to `ishell_cnt__'
dft/libdft.a(grid-gen.o): In function `grid_open':
grid-gen.c:(.text+0x7713): undefined reference to `get_grid_paras__'
grid-gen.c:(.text+0x7ab5): undefined reference to `set_grid_done__'
grid-gen.c:(.text+0x7b15): undefined reference to `ishell_cnt__'
grid-gen.c:(.text+0x7b26): undefined reference to `get_no_atoms__'
grid-gen.c:(.text+0x7bae): undefined reference to `get_atom_by_icent__'
dft/libdft.a(grid-gen.o): In function `grid_open_cmo':
grid-gen.c:(.text+0x8289): undefined reference to `dft_get_ao_dens_mat__'
dft/libdft.a(gen-so-int.o): In function `dftsoi_':
gen-so-int.c:(.text+0xa2): undefined reference to `dft_get_ao_dens_mat__'
gen-so-int.c:(.text+0x303): undefined reference to `write_soi__'
dft/libdft.a(integrator.o): In function `dft_integrator_bl_new':
integrator.c:(.text+0x19a): undefined reference to `dft_get_thresholds__'
integrator.c:(.text+0x214): undefined reference to `ishell_cnt__'
dft/libdft.a(integrator.o): In function `dft_grid_new':
integrator.c:(.text+0x3ab): undefined reference to `dft_get_thresholds__'
dft/libdft.a(integrator.o): In function `dft_integrate_ao_bl':
integrator.c:(.text+0x50d): undefined reference to `ishell_cnt__'
integrator.c:(.text+0x580): undefined reference to `construct_ioridx__'
integrator.c:(.text+0x771): undefined reference to `getrho_blocked_gga__'
integrator.c:(.text+0xa4f): undefined reference to `getrho_blocked_lda__'
dft/libdft.a(prop-eval.o): In function `dft_lin_respf__':
prop-eval.c:(.text+0x40d3): undefined reference to `dft_get_ao_dens_mat__'
dft/libdft.a(prop-eval.o): In function `lin_resp_cb_b_lda':
prop-eval.c:(.text+0x4943): undefined reference to `getexp_blocked_lda__'
dft/libdft.a(prop-eval.o): In function `lin_resp_cb_b_gga':
prop-eval.c:(.text+0x5a67): undefined reference to `getexp_blocked_gga__'
dft/libdft.a(prop-eval.o): In function `dft_lin_respab__':
prop-eval.c:(.text+0xa148): undefined reference to `dft_get_ao_dens_matab__'
dft/libdft.a(prop-eval.o): In function `dft_lin_resp_':
prop-eval.c:(.text+0xaa77): undefined reference to `dft_get_ao_dens_mat__'
collect2: ld returned 1 exit status
mpif77: No such file or directory
make: *** [linux.x] Error 1
But adding -fsecond-underscore gives the errors in the first message.
Still don't know what is going wrong.
Thank you,
Silviu
Try removing the -fsecond-underscore option from your FFLAGS in the
makefile. LAM/MPI was likely built without that option, which means that
the name mangling convention is different between when LAM was compiled
and your application was built. Removing the option should ensure the
same name mangling is used.
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