struct RgpotEngineCaps

Overview

Concurrency and evaluation capabilities, the engine-side image of rgpot’s PotCaps. More…

#include <engine_c_abi.h>
 
struct RgpotEngineCaps {
    // fields
 
    unsigned size;
    int reentrancy;
    int per_image_instances;
    int batched;
    int periodic;
    int stress;
    int group_collective;
};

Detailed Documentation

Concurrency and evaluation capabilities, the engine-side image of rgpot’s PotCaps. size is sizeof(RgpotEngineCaps) on the host; the engine fills the fields that fit and sets size to the size it wrote. reentrancy: 0 one instance may be called from many threads, 1 one instance per thread, 2 every evaluation in the process is serialized.

Fields

int per_image_instances

clone one instance per NEB image

int batched

force_batch is served natively

int periodic

periodic boundary conditions supported

int stress

cell stress is available

int group_collective

every rank of a group enters each call