[lammps-users] Problme of compiling LAMMPS with MEAM

Dear Lammps_users

      I am trying to compile LAMPPS in linux_poems_meam mode.
     At the beginning, I don't include the package "poems" and
     "meam" into LAMMPS. IT successfully compiled and executable.
      But it doesn't work on the meam test in the examples.

      So I try "make yes-poems" and "make yes-meam", and I rebulid
     the LAMMPS. Then I got some errors like follows:
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x642): In function `alloyparams_':
/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:104: undefined reference to `_gfortran_copy_string'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0xde6): In function `compute_pair_meam_':
/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:169: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0xeff):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:173: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x1018):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:174: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x1131):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:175: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x124a):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:176: undefined reference to `_gfortran_allocate64_array'
  (And so on.)
     The libs of poems and meam are built before compiling LAMMPS. It semms that the meam library is
   a Fortran library. How to link it to a C++ code smoothly. It there some tips to solve this?

Best Regards

Zhenyu Yang
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
[email protected]
2007-03-07

Dear Lammps_users

      I am trying to compile LAMPPS in linux_poems_meam mode.
     At the beginning, I don't include the package "poems" and
     "meam" into LAMMPS. IT successfully compiled and executable.
      But it doesn't work on the meam test in the examples.

      So I try "make yes-poems" and "make yes-meam", and I rebulid
     the LAMMPS. Then I got some errors like follows:
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x642): In function `alloyparams_':
/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:104: undefined reference to `_gfortran_copy_string'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0xde6): In function `compute_pair_meam_':
/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:169: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0xeff):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:173: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x1018):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:174: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x1131):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:175: undefined reference to `_gfortran_allocate64_array'
/home/yzy/lammps-12Feb07/lib/meam/libmeam.a(meam_setup_done.o)(.text+0x124a):/home/yzy/lammps-12Feb07/lib/meam/meam_setup_done.F:176: undefined reference to `_gfortran_allocate64_array'
  (And so on.)
     The libs of poems and meam are built before compiling LAMMPS. It semms that the meam library is
   a Fortran library. How to link it to a C++ code smoothly. It there some tips to solve this?

try adding -lgfortran at the end of the USRLIB definition.

cheers,
  axel.