Dear all
because of some hardware error, my simulation droped during running, and I just have cfg dump file that created
from:
dump cfgloading all cfg 1000 loading.*.cfg id type xs ys zs ix iy iz fx fy fz
dump_modify cfgloading element Cu O Cu
I want to read the cordinate and force of last snap shut and then because there is no I atoms velocity in my dump file use create a temperature by “velocity create” command. I tried to read “loading.668000.cfg” by " read_dump loading.668000.cfg 0 x y z box yes replace yes" command, but I received following error:
"ERROR on proc 0: Dump file is incorrectly formatted (…/reader_native.cpp:58)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
please advise me is it possible to read cfg file and rerun the simulation?
Thanks
Mohammad
Dear all
because of some hardware error, my simulation droped during running, and I
just have cfg dump file that created
from:
dump cfgloading all cfg 1000 loading.*.cfg id type xs ys zs ix iy iz
fx fy fz
dump_modify cfgloading element Cu O Cu
I want to read the cordinate and force of last snap shut and then because
there is no I atoms velocity in my dump file use create a temperature by
"velocity create" command. I tried to read "loading.668000.cfg" by "
read_dump loading.668000.cfg 0 x y z box yes replace yes" command, but I
received following error:
"ERROR on proc 0: Dump file is incorrectly formatted
(../reader_native.cpp:58)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
please advise me is it possible to read cfg file and rerun the simulation?
to be able to read a cfg style dump, you have to program the support
into LAMMPS. currently lammps can only read native dump files
(atom/custom style), xyz style files and anything that is readable via
the molfile plugins from VMD.
it *is* explained in the documentation.
axel.
Dear all
because of some hardware error, my simulation droped during running, and I
just have cfg dump file that created
oh, and that this as a hint to always use the "restart" command in the
future. to not have to go through such an ordeal again.
axel.