<div dir="ltr">Dear all, I want to embed a DFT aluminum cluster into an EAM matrix to study defects with quantum methods in large systems but I am unable to have it run... When I run the input file attached, i.e. with &NONBONDED &EAM ATOMS Al Al PARM_FILE_NAME /users/p1033/logiciels/cp2k/data/al.pot &END EAM &EAM ATOMS Al_q Al PARM_FILE_NAME /users/p1033/logiciels/cp2k/data/al.pot &END EAM &LENNARD-JONES ATOMS Al_q Al_q EPSILON 0. SIGMA 0. &END LENNARD-JONES &END NONBONDED in the &MM/&FORCEFIELD block, CP2K stops without error message at : QMMM| Information on the QM/MM Electrostatic Potential: QMMM| No QM/MM Electrostatic coupling. Just Mechanical Coupling! Looking at the slurm file (also attached), I find lines such as : Program received signal SIGSEGV: Segmentation fault - invalid memory reference. and #3 0x140EC3B in __manybody_eam_MOD_density_nonbond I guess there is a problem with EAM and, indeed, when I replace the Al_q Al EAM potential with a Lennard-Jones, it works. Therefore I wonder if there is a mistake in my input or if I am doing something not intended by the code (and the developpers) or if I miscompiled (gcc-4.9.2) or anything else... Also, I have a subsidiary question: would the image charge option be useful in reducing the "surface-ness" of the QM Al atoms at the QM/MM interface by mimicking the bulk? I thank in advance anyone who can help... Best regards, Jean-Marie </div>