Dear all,
Did anybody compile Lammps w/h MEAM on TACC?
I tried to compile this on TACC (lonestar), but failed it after careful reading a manual.
Strangely, without MEAM package, I compiled lammps linked with meam library.
But whenever I installed MEAM package, I failed to compile.
Please show me your makefile if you compiled lammps with meam package on tacc.
Thanks.
Sometimes make can get confused. I would try
make yes-all; make no-poems; make tacc_meam
to do a clean build. If this doesn't work, then post
the syntax of the error message.
Can you (or someone) post a Makefile.tacc or Makefile.lonestar
that we can add to the distribution?
Steve
Dear Steve,
I followed your suggestion, but it does not work, neither.
There are some error messages below.
I searched them in the website and found that the problem is a link problem with c++ and fortran.
pair_meam.o: In function LAMMPS_NS::PairMEAM::~PairMEAM()': pair_meam.cpp:(.text+0x2f): undefined reference to meam_cleanup_’
pair_meam.o: In function _ZN9LAMMPS_NS8PairMEAMD9Ev': pair_meam.cpp:(.text+0x353): undefined reference to meam_cleanup_’
pair_meam.o: In function LAMMPS_NS::PairMEAM::~PairMEAM()': pair_meam.cpp:(.text+0x687): undefined reference to meam_cleanup_’
pair_meam.o: In function LAMMPS_NS::PairMEAM::compute(int, int)': pair_meam.cpp:(.text+0x13de): undefined reference to meam_dens_init_’
pair_meam.cpp:(.text+0x1589): undefined reference to meam_dens_final_' pair_meam.cpp:(.text+0x1815): undefined reference to meam_force_’
pair_meam.o: In function LAMMPS_NS::PairMEAM::coeff(int, char**)': pair_meam.cpp:(.text+0x1dfa): undefined reference to meam_setup_done_’
pair_meam.o: In function LAMMPS_NS::PairMEAM::read_files(char*, char*)': pair_meam.cpp:(.text+0x2ace): undefined reference to meam_setup_global_’
pair_meam.cpp:(.text+0x2fb8): undefined reference to meam_setup_param_' pair_meam.o: In function LAMMPS_NS::PairMEAM::~PairMEAM()’:
pair_meam.cpp:(.text+0x4107): undefined reference to meam_cleanup_' make[1]: [../lmp_lonestar_meam] Error 1 (ignored) size ../lmp_lonestar_meam size: '../lmp_lonestar_meam': No such file make[1]: Leaving directory /home/01049/hschoi/lammps-15Jan09/src/Obj_lonestar_meam’
I have no idea why these errors occur only when I installed meam package.
Do you have any idea or other suggestions?
Thanks.
HeeSung
This is a link problem. When you include the MEAM package it
makes calls to the MEAM library, so the linker must make the
connection. It is failing, so try the suggestion of Mark Bankhead.
in your Makefile.tacc
If someone (Mark, you) will post a working LoneStar makefile
(maybe one without MEAM, one with), then I will add them
to the distribution.
Steve
Dear all,
Thank you for your suggestion
unfortunately, the suggestion of Mark Bankhead does not work.
I tried to solve the link problem, but it’s out of my ability I think.
If someone has a Makefile of LAMMPS with MEAM package in TACC, please show me it.
I really need to see it.
Thanks.
HeeSung
Dear all,
Thank you for your suggestion
unfortunately, the suggestion of Mark Bankhead does not work.
I tried to solve the link problem, but it's out of my ability I think.
have you considered asking TACC's user support staff?
solving this kind of problem is what they actually get paid for...
If someone has a Makefile of LAMMPS with MEAM package in TACC, please show
me it.
I really need to see it.
i would suspect the problem is not the lammps makefile itself,
but rather how and with which compiler you compiled libmeam.a
and what do you get, if you run?
nm libmeam.a | grep 'T meam'
cheers,
axel.