Skip to content

How to increase Spatial::LSTCAP #261

@QUAN-Siqi

Description

@QUAN-Siqi

This is the problem that I am facing:
Terminating with uncaught exception : An internal array in Spatial requested 51270 elements, but only 50352 (481049) were allocated. Please increase Spatial::LSTCAP (current value 48) so as to make Spatial::LSTCAP1049 >= 51270.
at /home/quam/tinker9/src/cu/spatial.cu:703
And in the spatial.cu file, there exists these sentences:

TINKER_THROW(format("An internal array in Spatial requested %1$d elements, "
"but only %4$d (%3$d*%2$d) were allocated. "
"Please increase Spatial::LSTCAP (current value %3$d) "
"so as to make Spatial::LSTCAP*%2$d >= %1$d.\n",

But I haven't found where to change the value of Spatial::LSTCAP, may I kindly ask how can I change it?
Thanks a lot!

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions