Hi everyone
I’m trying to minimize my configuration in a series of dump files. I’m using load_dump command which ends up in this error:
ERROR on proc 0: Dump file is incorrectly formatted (…/reader_native.cpp:65)
Last command: read_dump 1130000.dump 1 x y z format native
can you elaborate this error? how can I correct the format?
(I am aware that velocity is not available)
My dump file:
ITEM: UNITS
metal
ITEM: TIME
576.2434231107201
ITEM: TIMESTEP
1130000
ITEM: NUMBER OF ATOMS
2688000
ITEM: BOX BOUNDS pp pp pp
-2.2621712004329902e+02 2.2621712004329902e+02
-2.2388480487259957e+02 2.2388480487259957e+02
-1.5638238393574795e+02 1.5638238393574795e+02
ITEM: ATOMS id type x y z c_keng c_eng
382700 1 -170.561 -144.744 -127.641 0.00807241 -6.38302
342735 1 -170.496 -200.572 -106.732 0.127454 -6.37546
my lammps input:
lattice custom 3 a1 1 0.0 0.0 a2 0.0 1.7 0.0 a3 0.0 0.0 1.6 &
basis 0.0 0.0 0.0 &
basis 0.5 0.5 0.0 &
basis 0.5 0.1667 0.5 &
basis 0.0 0.6667 0.5
region box block -70 70 -40 40 -30 30
create_box 1 box
create_atoms 1 region box
pair_style eam/fs
pair_coeff * * M2.fs Zr
read_dump 1130000.dump 1 x y z box yes format native
dump Dumping all custom ${DumpOfMinimization} *.MinimizedDump id type x y z c_keng c_eng
dump_modify Dumping time yes units yes
minimize 1.0e-6 1.0e-8 10000 100000
Yours
Peter