Liggghts example execution problem

Submitted by techblast333 on Wed, 10/19/2011 - 19:06

hello all,
I am new on liggghts as well as Cfdem. i have installed Openfoam, liggghts and cfdem on ubuntu-10.04 LTS as per guidance in the installation text file given on this website. to learn liggghts properly i chose 'packing' example given in LIGGGHTS and i entered following commands in terminal:

cd LIGGGHTS/liggghts_GIT/example/LIGGGHTS/packing
cp ../../src/lmp_fedora_fpic .
lmp_fedora_fpic

msbentley's picture

msbentley | Wed, 10/19/2011 - 21:31

You don't say what your problem is, but I assume nothing is happening - you need to either specify the source file with the "in" switch to LIGGGHTS, or pipe in the script from stdin, for example:

lmp_fedora_fpic -in in.packing

or

lmp_fedora_fpic < in.packing

Output files are usually created in the current directory (or a sub-directory thereof), so you may not want to run in the LIGGGHTS source directory as you have above, but from the example directory or elsewhere (or better, put LIGGGHTS in your path).

Cheers, Mark

techblast333 | Wed, 10/19/2011 - 22:09

thanks Mark,
it worked with './lmp_fedora_fpic < in.packing' command but merely 'lmp_fedora_fpic < in.packing' still giving errors

ckloss's picture

ckloss | Wed, 10/19/2011 - 23:41

typically you create a symbolic link that allows you to access the executable system-wide, like

sudo ln -s /path1/src/lmp_fedora /usr/bin/liggghts

where path1 is the path of your LIGGGHTS installation. then you would start with

liggghts < in.packing

Christoph

techblast333 | Thu, 10/20/2011 - 02:08

thanks for the reply Christoph.
liggghts < in.packing command worked.
sir tried to execute LAMMPS colloid example also with the same command but stopped with some error:

/LIGGGHTS/liggghts_GIT/examples/LAMMPS/colloid$ liggghts < in.colloid
LIGGGHTS 1.4.5 based on lammps-10Mar10
Lattice spacing in x,y,z = 10 10 10
Created orthogonal box = (0 0 -5) to (300 300 5)
1 by 1 by 1 processor grid
Created 900 atoms
Setting atom values ...
861 settings made for type/fraction
ERROR: Invalid pair style

can u plz suggest me what is wrong in pair style.
In in.colloid file it is given as pair_style colloid 12.5

thnx for further reply

ckloss's picture

ckloss | Thu, 10/20/2011 - 08:59

the colloid style is part of the COLLOID package, ie you have to re-build LIGGGHTS with this package to enable it. See manual for more information on packages

Christoph

techblast333 | Thu, 10/20/2011 - 15:36

thanks sir.
i included all the packages in src directory with these commands with in the src directory
make yes-all
make package-update
make package-overwrite
make clean-all
make fedora_fpic
but during rebuiding of liggghts it stopped with these errors:
In file included from compute_pair_gran_local.cpp:38:
fix_wall_gran.h:58: error: ‘bigint’ does not name a type
compute_pair_gran_local.cpp: In destructor ‘virtual LAMMPS_NS::ComputePairGranLocal::~ComputePairGranLocal()’:
compute_pair_gran_local.cpp:91: error: ‘class LAMMPS_NS::FixWallGran’ has no member named ‘unregister_compute_wall_local’
compute_pair_gran_local.cpp: In member function ‘virtual void LAMMPS_NS::ComputePairGranLocal::init()’:
compute_pair_gran_local.cpp:175: error: ‘class LAMMPS_NS::FixWallGran’ has no member named ‘unregister_compute_wall_local’
compute_pair_gran_local.cpp:183: error: ‘class LAMMPS_NS::FixWallGran’ has no member named ‘is_mesh_wall’
compute_pair_gran_local.cpp:187: error: ‘class LAMMPS_NS::FixWallGran’ has no member named ‘register_compute_wall_local’
compute_pair_gran_local.cpp: In member function ‘virtual void LAMMPS_NS::ComputePairGranLocal::compute_local()’:
compute_pair_gran_local.cpp:238: error: no matching function for call to ‘LAMMPS_NS::FixWallGran::post_force(int, int)’
fix_wall_gran.h:34: note: candidates are: virtual void LAMMPS_NS::FixWallGran::post_force(int)
compute_pair_gran_local.cpp: In member function ‘int LAMMPS_NS::ComputePairGranLocal::count_wallcontacts()’:
compute_pair_gran_local.cpp:310: error: ‘class LAMMPS_NS::FixWallGran’ has no member named ‘n_contacts’
make[1]: *** [compute_pair_gran_local.o] Error 1
make[1]: Leaving directory `/home/anoop/LIGGGHTS/liggghts_GIT/src/Obj_fedora_fpic'
make: *** [fedora_fpic] Error 2

can you plz guide me why these errors are coming and what shoud be the correct way to rebuild liggghts with all the packages
thanks for any reply.

ckloss's picture

ckloss | Thu, 10/20/2011 - 15:45

the only explanation is that you mixed LAMMPS and LIGGGHTS files, for whatever reason - which is a bad idea. It works perfectly on my side. Just follow the manual and you will be fine

C

techblast333 | Thu, 10/20/2011 - 16:07

sir i previously made liggghts executable with default packages but during simulation of an example i found that pair_style colloid command is not working. then i included all the packages and try to rebuild liggghts again with these commands:
make yes-all
make packages-update
make packages-overwrite
make clean-all
make fedora_fpic

but it gave above errors. plz show me where i am wrong. i followed the the manual but still giving error.
thanks.

msbentley's picture

msbentley | Thu, 10/20/2011 - 18:37

I tried adding the colloid package and it worked for me - simply with:

make yes-colloid
make openmpi

obviously with fedora_fpic for you. It's probably better just to add the packages you need!

The colloid example (in.colloid) in the LAMMPS example runs fine for me.

Cheers, Mark