Move nbnxn files to nbnxm directory

[alexxy/gromacs.git] / src / gromacs / nbnxm / cuda / nbnxm_cuda_kernels.cuh

diff --git a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
similarity index 80%
rename from src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh
rename to src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
index 16977d73d2540e5bf3db4c179f90e6957b5778ae..323e6a671fbfb8f72bdca641bea89cadcf51b8d9 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2016,2017,2018,2019, 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.
@@ -49,7 +49,7 @@
  *
  *  \author Szilárd Páll <pall.szilard@gmail.com>
  *  \author Berk Hess <hess@kth.se>
- *  \ingroup module_mdlib
+ *  \ingroup module_nbnxm
  */
 
 /* Analytical plain cut-off electrostatics kernels
@@ -58,42 +58,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -106,42 +106,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -154,42 +154,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -203,42 +203,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -251,42 +251,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -299,42 +299,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh"
+#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME