Dear Lammps users,
I dumped an xyz file with lammps command:
dump coord1 oxyvac xyz 1 oxyvac.xyz
then use read_dump with the same xyz file without changing anything in the file:
read_dump oxyvac.xyz 0 x y z box no format xyz
an error generated saying: Expected integer parameter in input script or data file (/reader_xyz.cpp:62)
I went to the 62th line of reader_xyz.cpp and I found the error should be due to the natom parameter. It seems it can’t get the first line’s atom number. I tried the same script at 2012 version and all work fine.
I also compare the difference in reader_xyz.cpp regarding getting natom value between the 2012 version and 2015 version. The only thing might be a problem is that in 2015 version, it return ATOBIGINT(str), “str” is a char variable. While in 2012 version, ATOBIGINT(line) use the int variable “line” as input parameter.
I don’t know if this could also be due to compiling problem when building lammps.
Thank you for your help!