Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_cuda / nbnxn_cuda_data_mgmt.cu

diff --git a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
index bea220b4c5d90a75ae170b40a6142ade326e6647..3940ba87ade22e868805146468df9308a409aed7 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
+++ b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
@@ -40,6 +40,8 @@
 #include <stdio.h>
 #include <assert.h>
 
+#include <cuda.h>
+
 #include "gmx_fatal.h"
 #include "smalloc.h"
 #include "tables.h"
@@ -859,6 +861,17 @@ void nbnxn_cuda_free(FILE *fplog, nbnxn_cuda_ptr_t cu_nb)
         cu_free_buffered(plist_nl->excl, &plist_nl->nexcl, &plist->excl_nalloc);
     }
 
+    sfree(atdat);
+    sfree(nbparam);
+    sfree(plist);
+    if (cu_nb->bUseTwoStreams)
+    {
+        sfree(plist_nl);
+    }
+    sfree(timers);
+    sfree(cu_nb->timings);
+    sfree(cu_nb);
+
     if (debug)
     {
         fprintf(debug, "Cleaned up CUDA data structures.\n");