Spatial::LSTCAP

[mayank-kohli]

Hi I am getting following error during minimization

Terminating with uncaught exception : An internal array in Spatial requested 55350 elements, but only 52896 (48*1102) were allocated. Please incrso as to make Spatial::LSTCAP*1102 >= 55350. at /home/administrator/Documents/tinker9/src/cu/spatial.cu:703

Thank you

[zhi-wang]

This usually happens when a pathologically high number of atoms are included in the cutoff distance, either due to an unrealistically long cutoff distance or an unlikely high density, or both.