Fix malformed CUDA version macro check
[alexxy/gromacs.git] / src / mdlib / nbnxn_cuda / nbnxn_cuda_data_mgmt.cu
index 882063167495fbd1775ad6658c0a52577df759d5..a35bfedb818b393dc12c769ccf722fc62eef66be 100644 (file)
@@ -53,6 +53,7 @@
 #include "types/interaction_const.h"
 #include "types/force_flags.h"
 #include "../nbnxn_consts.h"
+#include "gmx_detect_hardware.h"
 
 #include "nbnxn_cuda_types.h"
 #include "../../gmxlib/cuda_tools/cudautils.cuh"
@@ -109,7 +110,8 @@ static void nbnxn_cuda_clear_e_fshift(nbnxn_cuda_ptr_t cu_nb);
     and the table GPU array. If called with an already allocated table,
     it just re-uploads the table.
  */
-static void init_ewald_coulomb_force_table(cu_nbparam_t *nbp)
+static void init_ewald_coulomb_force_table(cu_nbparam_t          *nbp,
+                                           const cuda_dev_info_t *dev_info)
 {
     float       *ftmp, *coul_tab;
     int         tabsize;
@@ -136,10 +138,32 @@ static void init_ewald_coulomb_force_table(cu_nbparam_t *nbp)
 
         nbp->coulomb_tab = coul_tab;
 
-        cudaChannelFormatDesc cd   = cudaCreateChannelDesc<float>();
-        stat = cudaBindTexture(NULL, &nbnxn_cuda_get_coulomb_tab_texref(),
-                               coul_tab, &cd, tabsize*sizeof(*coul_tab));
-        CU_RET_ERR(stat, "cudaBindTexture on coul_tab failed");
+#ifdef TEXOBJ_SUPPORTED
+        /* Only device CC >= 3.0 (Kepler and later) support texture objects */
+        if (dev_info->prop.major >= 3)
+        {
+            cudaResourceDesc rd;
+            memset(&rd, 0, sizeof(rd));
+            rd.resType                  = cudaResourceTypeLinear;
+            rd.res.linear.devPtr        = nbp->coulomb_tab;
+            rd.res.linear.desc.f        = cudaChannelFormatKindFloat;
+            rd.res.linear.desc.x        = 32;
+            rd.res.linear.sizeInBytes   = tabsize*sizeof(*coul_tab);
+
+            cudaTextureDesc td;
+            memset(&td, 0, sizeof(td));
+            td.readMode                 = cudaReadModeElementType;
+            stat = cudaCreateTextureObject(&nbp->coulomb_tab_texobj, &rd, &td, NULL);
+            CU_RET_ERR(stat, "cudaCreateTextureObject on coulomb_tab_texobj failed");
+        }
+        else
+#endif
+        {
+            cudaChannelFormatDesc cd   = cudaCreateChannelDesc<float>();
+            stat = cudaBindTexture(NULL, &nbnxn_cuda_get_coulomb_tab_texref(),
+                                   coul_tab, &cd, tabsize*sizeof(*coul_tab));
+            CU_RET_ERR(stat, "cudaBindTexture on coulomb_tab_texref failed");
+        }
     }
 
     cu_copy_H2D(coul_tab, ftmp, tabsize*sizeof(*coul_tab));
@@ -278,7 +302,7 @@ static void init_nbparam(cu_nbparam_t *nbp,
     nbp->coulomb_tab = NULL;
     if (nbp->eeltype == eelCuEWALD_TAB || nbp->eeltype == eelCuEWALD_TAB_TWIN)
     {
-        init_ewald_coulomb_force_table(nbp);
+        init_ewald_coulomb_force_table(nbp, dev_info);
     }
 
     nnbfp = 2*ntypes*ntypes;
@@ -286,10 +310,32 @@ static void init_nbparam(cu_nbparam_t *nbp,
     CU_RET_ERR(stat, "cudaMalloc failed on nbp->nbfp");
     cu_copy_H2D(nbp->nbfp, nbat->nbfp, nnbfp*sizeof(*nbp->nbfp));
 
-    cudaChannelFormatDesc cd   = cudaCreateChannelDesc<float>();
-    stat = cudaBindTexture(NULL, &nbnxn_cuda_get_nbfp_texref(),
-                           nbp->nbfp, &cd, nnbfp*sizeof(*nbp->nbfp));
-    CU_RET_ERR(stat, "cudaBindTexture on nbfp failed");
+#ifdef TEXOBJ_SUPPORTED
+        /* Only device CC >= 3.0 (Kepler and later) support texture objects */
+        if (dev_info->prop.major >= 3)
+        {
+            cudaResourceDesc rd;
+            memset(&rd, 0, sizeof(rd));
+            rd.resType                  = cudaResourceTypeLinear;
+            rd.res.linear.devPtr        = nbp->nbfp;
+            rd.res.linear.desc.f        = cudaChannelFormatKindFloat;
+            rd.res.linear.desc.x        = 32;
+            rd.res.linear.sizeInBytes   = nnbfp*sizeof(*nbp->nbfp);
+
+            cudaTextureDesc td;
+            memset(&td, 0, sizeof(td));
+            td.readMode                 = cudaReadModeElementType;
+            stat = cudaCreateTextureObject(&nbp->nbfp_texobj, &rd, &td, NULL);
+            CU_RET_ERR(stat, "cudaCreateTextureObject on nbfp_texobj failed");
+        }
+        else
+#endif
+        {
+            cudaChannelFormatDesc cd = cudaCreateChannelDesc<float>();
+            stat = cudaBindTexture(NULL, &nbnxn_cuda_get_nbfp_texref(),
+                                   nbp->nbfp, &cd, nnbfp*sizeof(*nbp->nbfp));
+            CU_RET_ERR(stat, "cudaBindTexture on nbfp_texref failed");
+        }
 }
 
 /*! Re-generate the GPU Ewald force table, resets rlist, and update the
@@ -306,7 +352,7 @@ void nbnxn_cuda_pme_loadbal_update_param(nbnxn_cuda_ptr_t cu_nb,
     nbp->eeltype        = pick_ewald_kernel_type(ic->rcoulomb != ic->rvdw,
                                                  cu_nb->dev_info);
 
-    init_ewald_coulomb_force_table(cu_nb->nbparam);
+    init_ewald_coulomb_force_table(cu_nb->nbparam, cu_nb->dev_info);
 }
 
 /*! Initializes the pair list data structure. */
@@ -412,7 +458,7 @@ static int pick_nbnxn_kernel_version(FILE            *fplog,
     }
 
     bCUDA32 = bCUDA40 = false;
-#if CUDA_VERSION == 3200
+#if CUDA_VERSION == 3020
     bCUDA32 = true;
     sprintf(sbuf, "3.2");
 #elif CUDA_VERSION == 4000
@@ -459,7 +505,9 @@ static int pick_nbnxn_kernel_version(FILE            *fplog,
 
 void nbnxn_cuda_init(FILE *fplog,
                      nbnxn_cuda_ptr_t *p_cu_nb,
-                     gmx_gpu_info_t *gpu_info, int my_gpu_index,
+                     const gmx_gpu_info_t *gpu_info,
+                     const gmx_gpu_opt_t *gpu_opt,
+                     int my_gpu_index,
                      gmx_bool bLocalAndNonlocal)
 {
     cudaError_t stat;
@@ -493,14 +541,36 @@ void nbnxn_cuda_init(FILE *fplog,
 
     init_plist(nb->plist[eintLocal]);
 
+    /* set device info, just point it to the right GPU among the detected ones */
+    nb->dev_info = &gpu_info->cuda_dev[get_gpu_device_id(gpu_info, gpu_opt, my_gpu_index)];
+
     /* local/non-local GPU streams */
     stat = cudaStreamCreate(&nb->stream[eintLocal]);
     CU_RET_ERR(stat, "cudaStreamCreate on stream[eintLocal] failed");
     if (nb->bUseTwoStreams)
     {
         init_plist(nb->plist[eintNonlocal]);
+
+        /* CUDA stream priority available in the CUDA RT 5.5 API.
+         * Note that the device we're running on does not have to support
+         * priorities, because we are querying the priority range which in this
+         * case will be a single value.
+         */
+#if CUDA_VERSION >= 5050
+        {
+            int highest_priority;
+            stat = cudaDeviceGetStreamPriorityRange(NULL, &highest_priority);
+            CU_RET_ERR(stat, "cudaDeviceGetStreamPriorityRange failed");
+
+            stat = cudaStreamCreateWithPriority(&nb->stream[eintNonlocal],
+                                                cudaStreamDefault,
+                                                highest_priority);
+            CU_RET_ERR(stat, "cudaStreamCreateWithPriority on stream[eintNonlocal] failed");
+        }
+#else
         stat = cudaStreamCreate(&nb->stream[eintNonlocal]);
         CU_RET_ERR(stat, "cudaStreamCreate on stream[eintNonlocal] failed");
+#endif
     }
 
     /* init events for sychronization (timing disabled for performance reasons!) */
@@ -509,9 +579,6 @@ void nbnxn_cuda_init(FILE *fplog,
     stat = cudaEventCreateWithFlags(&nb->misc_ops_done, cudaEventDisableTiming);
     CU_RET_ERR(stat, "cudaEventCreate on misc_ops_one failed");
 
-    /* set device info, just point it to the right GPU among the detected ones */
-    nb->dev_info = &gpu_info->cuda_dev[get_gpu_device_id(gpu_info, my_gpu_index)];
-
     /* On GPUs with ECC enabled, cudaStreamSynchronize shows a large overhead
      * (which increases with shorter time/step) caused by a known CUDA driver bug.
      * To work around the issue we'll use an (admittedly fragile) memory polling
@@ -536,7 +603,7 @@ void nbnxn_cuda_init(FILE *fplog,
     bTMPIAtomics = false;
 #endif
 
-#if defined(i386) || defined(__x86_64__)
+#ifdef GMX_TARGET_X86
     bX86 = true;
 #else
     bX86 = false;
@@ -560,7 +627,8 @@ void nbnxn_cuda_init(FILE *fplog,
          *   - atomics are available, and
          *   - GPUs are not being shared.
          */
-        bool bShouldUsePollSync = (bX86 && bTMPIAtomics && !gpu_info->bDevShare);
+        bool bShouldUsePollSync = (bX86 && bTMPIAtomics &&
+                                   (gmx_count_gpu_dev_shared(gpu_opt) < 1));
 
         if (bStreamSync)
         {
@@ -828,7 +896,7 @@ void nbnxn_cuda_init_atomdata(nbnxn_cuda_ptr_t cu_nb,
     }
 }
 
-void nbnxn_cuda_free(FILE *fplog, nbnxn_cuda_ptr_t cu_nb)
+void nbnxn_cuda_free(nbnxn_cuda_ptr_t cu_nb)
 {
     cudaError_t     stat;
     cu_atomdata_t   *atdat;
@@ -846,9 +914,21 @@ void nbnxn_cuda_free(FILE *fplog, nbnxn_cuda_ptr_t cu_nb)
 
     if (nbparam->eeltype == eelCuEWALD_TAB || nbparam->eeltype == eelCuEWALD_TAB_TWIN)
     {
-      stat = cudaUnbindTexture(nbnxn_cuda_get_coulomb_tab_texref());
-      CU_RET_ERR(stat, "cudaUnbindTexture on coulomb_tab failed");
-      cu_free_buffered(nbparam->coulomb_tab, &nbparam->coulomb_tab_size);
+
+#ifdef TEXOBJ_SUPPORTED
+        /* Only device CC >= 3.0 (Kepler and later) support texture objects */
+        if (cu_nb->dev_info->prop.major >= 3)
+        {
+            stat = cudaDestroyTextureObject(nbparam->coulomb_tab_texobj);
+            CU_RET_ERR(stat, "cudaDestroyTextureObject on coulomb_tab_texobj failed");
+        }
+        else
+#endif
+        {
+            stat = cudaUnbindTexture(nbnxn_cuda_get_coulomb_tab_texref());
+            CU_RET_ERR(stat, "cudaUnbindTexture on coulomb_tab_texref failed");
+        }
+        cu_free_buffered(nbparam->coulomb_tab, &nbparam->coulomb_tab_size);
     }
 
     stat = cudaEventDestroy(cu_nb->nonlocal_done);
@@ -891,8 +971,19 @@ void nbnxn_cuda_free(FILE *fplog, nbnxn_cuda_ptr_t cu_nb)
         }
     }
 
-    stat = cudaUnbindTexture(nbnxn_cuda_get_nbfp_texref());
-    CU_RET_ERR(stat, "cudaUnbindTexture on coulomb_tab failed");
+#ifdef TEXOBJ_SUPPORTED
+    /* Only device CC >= 3.0 (Kepler and later) support texture objects */
+    if (cu_nb->dev_info->prop.major >= 3)
+    {
+        stat = cudaDestroyTextureObject(nbparam->nbfp_texobj);
+        CU_RET_ERR(stat, "cudaDestroyTextureObject on nbfp_texobj failed");
+    }
+    else
+#endif
+    {
+        stat = cudaUnbindTexture(nbnxn_cuda_get_nbfp_texref());
+        CU_RET_ERR(stat, "cudaUnbindTexture on nbfp_texref failed");
+    }
     cu_free_buffered(nbparam->nbfp);
 
     stat = cudaFree(atdat->shift_vec);
@@ -964,3 +1055,9 @@ int nbnxn_cuda_min_ci_balanced(nbnxn_cuda_ptr_t cu_nb)
         gpu_min_ci_balanced_factor*cu_nb->dev_info->prop.multiProcessorCount : 0;
 
 }
+
+gmx_bool nbnxn_cuda_is_kernel_ewald_analytical(const nbnxn_cuda_ptr_t cu_nb)
+{
+    return ((cu_nb->nbparam->eeltype == eelCuEWALD_ANA) ||
+            (cu_nb->nbparam->eeltype == eelCuEWALD_ANA_TWIN));
+}