// TODO should wrap with ewcLAUNCH_GPU
GMX_ASSERT(haveInteractions_, "No GPU bonded interactions, so no energies will be computed, so transfer should not be called");
+ // TODO add conditional on whether there has been any compute (and make sure host buffer doesn't contain garbage)
float *h_vTot = vTot_.data();
copyFromDeviceBuffer(h_vTot, &d_vTot_,
0, F_NRE,