Hold unique_ptr for interaction_const in forcerec

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm_setup.cpp

diff --git a/src/gromacs/nbnxm/nbnxm_setup.cpp b/src/gromacs/nbnxm/nbnxm_setup.cpp
index 64501b5ab3682ed5bacf9d7bca8e4f60a771d0db..279a385ed49b448a9a156b16685f5d49ae0af08a 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_setup.cpp
+++ b/src/gromacs/nbnxm/nbnxm_setup.cpp
@@ -448,7 +448,7 @@ std::unique_ptr<nonbonded_verlet_t> init_nb_verlet(const gmx::MDLogger& mdlog,
                 (deviceStreamManager != nullptr),
                 "Device stream manager should be initialized in order to use GPU for non-bonded.");
         gpu_nbv = gpu_init(
-                *deviceStreamManager, forcerec.ic, pairlistParams, nbat.get(), haveMultipleDomains);
+                *deviceStreamManager, forcerec.ic.get(), pairlistParams, nbat.get(), haveMultipleDomains);
 
         minimumIlistCountForGpuBalancing = getMinimumIlistCountForGpuBalancing(gpu_nbv);
     }