diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp index 539f8e673698b67b570bad160ff45648c01c2567..24b23c6ccf667f076c5fe6e51157a7fc4a555dc4 100644 --- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp +++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp @@ -158,6 +158,7 @@ void AtomVecDPDKokkos::copy(int i, int j, int delflag) { sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK | MASK_MASK | IMAGE_MASK | DPDTHETA_MASK | + UCG_MASK | UCGNEW_MASK | UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK); h_tag[j] = h_tag[i]; @@ -183,6 +184,7 @@ void AtomVecDPDKokkos::copy(int i, int j, int delflag) modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK | MASK_MASK | IMAGE_MASK | DPDTHETA_MASK | + UCG_MASK | UCGNEW_MASK | UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK); } @@ -1029,7 +1031,7 @@ int AtomVecDPDKokkos::pack_comm_hybrid(int n, int *list, double *buf) int i,j,m; sync(Host,DPDTHETA_MASK | UCOND_MASK | - UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK); + UMECH_MASK | UCHEM_MASK); m = 0; for (i = 0; i < n; i++) { @@ -1234,7 +1236,7 @@ int AtomVecDPDKokkos::unpack_comm_hybrid(int n, int first, double *buf) } modified(Host,DPDTHETA_MASK | UCOND_MASK | - UMECH_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK); + UMECH_MASK | UCHEM_MASK ); return m; } @@ -1645,6 +1647,8 @@ int AtomVecDPDKokkos::unpack_restart(double *buf) h_uCond[nlocal] = buf[m++]; h_uMech[nlocal] = buf[m++]; h_uChem[nlocal] = buf[m++]; + h_uCG[nlocal] = 0.0; + h_uCGnew[nlocal] = 0.0; double **extra = atom->extra; if (atom->nextra_store) { @@ -1654,6 +1658,7 @@ int AtomVecDPDKokkos::unpack_restart(double *buf) modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK | MASK_MASK | IMAGE_MASK | DPDTHETA_MASK | + UCG_MASK | UCGNEW_MASK | UCOND_MASK | UMECH_MASK | UCHEM_MASK | DVECTOR_MASK); atom->nlocal++; diff --git a/src/USER-DPD/atom_vec_dpd.cpp b/src/USER-DPD/atom_vec_dpd.cpp index 6c8e6f91a9b4ea16b778228731be2eb3d2639f94..4cf6356100c0bd4182bbc9f05eb95a0292876830 100644 --- a/src/USER-DPD/atom_vec_dpd.cpp +++ b/src/USER-DPD/atom_vec_dpd.cpp @@ -757,6 +757,8 @@ int AtomVecDPD::unpack_restart(double *buf) uCond[nlocal] = buf[m++]; uMech[nlocal] = buf[m++]; uChem[nlocal] = buf[m++]; + uCG[nlocal] = 0.0; + uCGnew[nlocal] = 0.0; double **extra = atom->extra; if (atom->nextra_store) {