Copy missing GPU NB host deallocations from OpenCL to CUDA
authorAleksei Iupinov <a.yupinov@gmail.com>
Wed, 2 May 2018 16:03:35 +0000 (18:03 +0200)
committerAleksei Iupinov <a.yupinov@gmail.com>
Thu, 3 May 2018 11:59:07 +0000 (13:59 +0200)
Change-Id: I57572566afd46caeacfff02b8708e46391093004

src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu

index e6c8e531adca000842f0d55915e7ca992ffd97ce..9ad2bebad106fcb9f7910552cba0a4398bb96925 100644 (file)
@@ -808,6 +808,16 @@ void nbnxn_gpu_free(gmx_nbnxn_cuda_t *nb)
         sfree(plist_nl);
     }
 
+    /* Free nbst */
+    pfree(nb->nbst.e_lj);
+    nb->nbst.e_lj = NULL;
+
+    pfree(nb->nbst.e_el);
+    nb->nbst.e_el = NULL;
+
+    pfree(nb->nbst.fshift);
+    nb->nbst.fshift = NULL;
+
     sfree(atdat);
     sfree(nbparam);
     sfree(nb->timings);