My problem need to use non-periodic bc, ie the shock dirction, so I only changed mesh bc to p as below:
fix_modify ATC fem create mesh 2 2 12 FE_region p p p
It succeed! But I still have some doubt. First if I output atc and lammps dump, it will come an error below:
LAMMPS (31 Aug 2011)
Lattice spacing in x,y,z = 2.8606 2.8606 2.8606
Created orthogonal box = (0 0 0) to (57.212 343.272 57.212)
1 by 2 by 1 processor grid
Created 96400 atoms
2000 atoms in group piston
94400 atoms in group material
96400 atoms in group FE
Constructing ATC transfer (hardy)
atomPE compute created with ID: 9
ATC:: created FEM Mesh with 625 Global Nodes, 384 Unique Nodes, and 384 Elements
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
Setting up run …
ATC:: computing bond matrix …
ATC:: stress/heat_flux will be computed on-the-fly
ATC:: conversion factor for energy/vol -> stress 1.60218e+06
ATC:: cutoff radius 4.7965
ERROR on proc 0: Cannot open dump file
Second, when I cancel lammps dump, it runs half way and abort ! output info is list below. What is the reason? How can I avoid it? And what localization function you used to calculate continuum variables, eg Cauchy stress …
LAMMPS (31 Aug 2011)
Lattice spacing in x,y,z = 2.8606 2.8606 2.8606
Created orthogonal box = (0 0 0) to (57.212 343.272 57.212)
1 by 2 by 1 processor grid
Created 96400 atoms
2000 atoms in group piston
94400 atoms in group material
96400 atoms in group FE
Constructing ATC transfer (hardy)
atomPE compute created with ID: 9
ATC:: created FEM Mesh with 625 Global Nodes, 384 Unique Nodes, and 384 Elements
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
Setting up run …
ATC:: computing bond matrix …
ATC:: stress/heat_flux will be computed on-the-fly
ATC:: conversion factor for energy/vol -> stress 1.60218e+06
ATC:: cutoff radius 4.7965
ERROR on proc 0: Cannot open dump file
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[sialon@…436… FE-shock]$ mpirun -np 2 ./lmp_sialon -in in.shock
LAMMPS (31 Aug 2011)
Lattice spacing in x,y,z = 2.8606 2.8606 2.8606
Created orthogonal box = (0 0 0) to (57.212 343.272 57.212)
1 by 2 by 1 processor grid
Created 96400 atoms
2000 atoms in group piston
94400 atoms in group material
96400 atoms in group FE
Constructing ATC transfer (hardy)
atomPE compute created with ID: 9
ATC:: created FEM Mesh with 625 Global Nodes, 384 Unique Nodes, and 384 Elements
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
ATC:: Warning : text output can create LARGE files
Setting up run …
ATC:: computing bond matrix …
ATC:: stress/heat_flux will be computed on-the-fly
ATC:: conversion factor for energy/vol -> stress 1.60218e+06
ATC:: cutoff radius 4.7965
Memory usage per processor = 56.2771 Mbytes
Step Lx Ly Lz Volume CPU
0 57.212 343.2722 57.212 1123603 0
ATC:: computing potential stress: … …done
terminate called after throwing an instance of ‘std::bad_alloc’
what(): St9bad_alloc
— 11年9月10日，周六, Jones, Reese <rjones@…33…3…> 写道：