Fixed Verlet buffer issue with 2-wide SIMD

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / calc_verletbuf.h

diff --git a/src/gromacs/gmxpreprocess/calc_verletbuf.h b/src/gromacs/gmxpreprocess/calc_verletbuf.h
index 65ef4923506c4fe15eb99da7c653d7575670e4cd..d54ecd437c873b963db470b0ed1703908a9d985e 100644 (file)
--- a/src/gromacs/gmxpreprocess/calc_verletbuf.h
+++ b/src/gromacs/gmxpreprocess/calc_verletbuf.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -63,8 +63,11 @@ static const real verlet_buffer_ratio_NVE_T0     = 0.10;
 /* Sets the pair-list setup assumed for the current Gromacs configuration.
  * The setup with smallest cluster sizes is return, such that the Verlet
  * buffer size estimated with this setup will be conservative.
+ * bSIMD tells if to take into account SIMD, when supported.
+ * bGPU tells to estimate for GPU kernels (bSIMD is ignored with bGPU=TRUE)
  */
-void verletbuf_get_list_setup(gmx_bool                bGPU,
+void verletbuf_get_list_setup(gmx_bool                bSIMD,
+                              gmx_bool                bGPU,
                               verletbuf_list_setup_t *list_setup);