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

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
index 5bc27a0e98378649808943912b3bd05b565a4b27..58647c3181e04ad9aed3b0896e85e52b5223f5c1 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
@@ -57,42 +57,42 @@
 #define EL_CUTOFF
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecCut_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
@@ -105,42 +105,42 @@
 #define EL_RF
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecRF_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
@@ -153,42 +153,42 @@
 #define EL_EWALD_ANA
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEw_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
@@ -202,42 +202,42 @@
 #define VDW_CUTOFF_CHECK
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwTwinCut_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
@@ -250,42 +250,42 @@
 #define EL_EWALD_TAB
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTab_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
@@ -298,42 +298,42 @@
 #define VDW_CUTOFF_CHECK
 
 /* cut-off + V shift LJ */
-#define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJ ## __VA_ARGS__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJ##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJEwCombGeom##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJEwCombLB##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJFsw##__VA_ARGS__
 #include "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__
+#define NB_KERNEL_FUNC_NAME(x, ...) x##_ElecEwQSTabTwinCut_VdwLJPsw##__VA_ARGS__
 #include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME