Dear Lammps users,
We installed LAMMPS GPU (12.12.2018) on a cray machine, using cmake. The GPU LAMMPS works with scripts in the example folder. It also works for scripts without using user-misc related commands. But when we try to run the script with “dihedral_style fourier” (which comes with user-misc package), it gives the error as shown below,
_pmiu_daemon(SIGCHLD): [NID 00002] [c0-0c0s0n2] [Thu Feb 11 22:43:37 2021] PE RANK 11 exit signal Illegal instruction
A previous mail regarding a similar issue (Re: [lammps-users] Lammps gpu error on cray XC40 (sandia.gov)) on a cray machine talks about something similar. However, I couldn’t find a follow-up thread for this issue.
Was anyone able to successfully run USER packages with GPU in cray machine? Should we customize the installation somehow in order to use these commands?