I am completely new to Lammps, and I am trying to do simulations on water to determine the S(q,w), but I am running into some problems with lammps. Well, the error I get you can see in the subject of the email. I have compiled the parallel version on Ubuntu 12.04, with the Makefile that is attached, and I have also attached the input file that I am using. When I have dump atom instead of xtc, simulation runs smooth, but when I put in xtc, it just gives me the above error.
Any help is appreciated and thanks in advance,
Makefile.ubuntu_parallel (814 Bytes)
Ice-Ic-40A-box.dat (1.27 MB)
tip3p.lmp (973 Bytes)