cp2k · hfp · Dec 16, 2023 · Dec 15, 2023
diff --git a/src/acc/acc_bench_smm.c b/src/acc/acc_bench_smm.c
@@ -72,6 +72,9 @@
 #if !defined(NREPEAT)
 #  define NREPEAT 3
 #endif
+#if !defined(XREPEAT)
+#  define XREPEAT 66
+#endif
 #if !defined(TRANSPOSE)
 #  define TRANSPOSE
 #endif
@@ -292,7 +295,8 @@ int main(int argc, char* argv[]) {
       double duration = 0;
 #endif
       const char* const env_stack_size = getenv("SMM_BATCHSIZE");
-      int nrepeat = (0 < inr ? inr : NREPEAT);
+      const int xrepeat = (0 != check ? NREPEAT : XREPEAT);
+      int nrepeat = (0 < inr ? inr : xrepeat);
       int stack_size, na, nb, nc, nr, r;
       if (NULL == env_stack_size) {
         stack_size = 0;
@@ -325,7 +329,7 @@ int main(int argc, char* argv[]) {
           const int r = rnd[nok % NRAND], ss = -stack_size, bs = (1 < ss ? ss : BATCHSIZE);
           const int limit = (BATCHGRAIN < ss ? ((bs + BATCHGRAIN - 1) / BATCHGRAIN) : ss);
           stack_size = (r % limit + 1) * BATCHGRAIN;
-          nrepeat = MAX((BATCHSIZE * nrepeat + stack_size - 1) / stack_size, NREPEAT);
+          nrepeat = MAX((BATCHSIZE * nrepeat + stack_size - 1) / stack_size, xrepeat);
         }
         else stack_size = BATCHSIZE; /* plain default */
       }

diff --git a/src/acc/opencl/Makefile b/src/acc/opencl/Makefile
@@ -61,7 +61,7 @@ endif
 endif
 
 CFLAGS := -fPIC \
-  -Wall -Wextra \
+  -Wall -Wextra -Wcast-qual \
   -Wno-overlength-strings \
   -Wno-variadic-macros \
   -Wno-unused-function \
@@ -299,7 +299,7 @@ endif
 	fi
 
 $(MAKDIR)/smm/opencl_kernels.h: $(MAKDIR)/acc_opencl.sh $(KERNEL) $(PARAMS)
-	@CPPFLAGS=$(CPP_OPENCL_FLAGS) $(MAKDIR)/acc_opencl.sh $(KERNEL) $(PARAMS) $@
+	CPPFLAGS=$(CPP_OPENCL_FLAGS) $(MAKDIR)/acc_opencl.sh $(KERNEL) $(PARAMS) $@
 
 .PHONY: backend
 backend: $(ACCDIR)/dbcsr_acc.a

diff --git a/src/acc/opencl/acc_opencl.c b/src/acc/opencl/acc_opencl.c
@@ -531,26 +531,45 @@ int c_dbcsr_acc_init(void) {
         else {
           result = EXIT_FAILURE;
         }
-        c_dbcsr_acc_opencl_config.handle = 0;
-        c_dbcsr_acc_opencl_config.handles = NULL;
+        c_dbcsr_acc_opencl_config.nclmems = c_dbcsr_acc_opencl_config.nevents = 0;
+        c_dbcsr_acc_opencl_config.clmems = c_dbcsr_acc_opencl_config.events = NULL;
         c_dbcsr_acc_opencl_config.storage = NULL;
 #  if LIBXSMM_VERSION4(1, 17, 0, 0) < LIBXSMM_VERSION_NUMBER && defined(ACC_OPENCL_HANDLES_MAXCOUNT) && \
     (0 < ACC_OPENCL_HANDLES_MAXCOUNT)
         if (EXIT_SUCCESS == result) {
-          c_dbcsr_acc_opencl_config.handle = ACC_OPENCL_HANDLES_MAXCOUNT * c_dbcsr_acc_opencl_config.nthreads;
-          c_dbcsr_acc_opencl_config.handles = (void**)malloc(sizeof(void*) * c_dbcsr_acc_opencl_config.handle);
-          c_dbcsr_acc_opencl_config.storage = malloc(sizeof(void*) * c_dbcsr_acc_opencl_config.handle);
-          if (NULL != c_dbcsr_acc_opencl_config.handles && NULL != c_dbcsr_acc_opencl_config.storage) {
-            libxsmm_pmalloc_init(sizeof(void*), &c_dbcsr_acc_opencl_config.handle, c_dbcsr_acc_opencl_config.handles,
+          const size_t nhandles = ACC_OPENCL_HANDLES_MAXCOUNT * c_dbcsr_acc_opencl_config.nthreads;
+#    if defined(ACC_OPENCL_MEM_OFFSET)
+          c_dbcsr_acc_opencl_config.nclmems = nhandles;
+          c_dbcsr_acc_opencl_config.clmems = (void**)malloc(sizeof(void*) * nhandles);
+          c_dbcsr_acc_opencl_config.storage = malloc(sizeof(void*) * (nhandles + nhandles));
+          if (NULL != c_dbcsr_acc_opencl_config.clmems && NULL != c_dbcsr_acc_opencl_config.storage) {
+            libxsmm_pmalloc_init(sizeof(void*), &c_dbcsr_acc_opencl_config.nclmems, c_dbcsr_acc_opencl_config.clmems,
+              (void**)c_dbcsr_acc_opencl_config.storage + nhandles);
+          }
+          else {
+            free(c_dbcsr_acc_opencl_config.clmems);
+            c_dbcsr_acc_opencl_config.clmems = NULL;
+            c_dbcsr_acc_opencl_config.nclmems = 0;
+            result = EXIT_FAILURE;
+          }
+#    else
+          c_dbcsr_acc_opencl_config.storage = malloc(sizeof(void*) * nhandles);
+#    endif
+          c_dbcsr_acc_opencl_config.nevents = nhandles;
+          c_dbcsr_acc_opencl_config.events = (void**)malloc(sizeof(void*) * nhandles);
+          if (NULL != c_dbcsr_acc_opencl_config.events && NULL != c_dbcsr_acc_opencl_config.storage) {
+            libxsmm_pmalloc_init(sizeof(void*), &c_dbcsr_acc_opencl_config.nevents, c_dbcsr_acc_opencl_config.events,
               c_dbcsr_acc_opencl_config.storage);
           }
           else {
-            free(c_dbcsr_acc_opencl_config.handles);
+            free(c_dbcsr_acc_opencl_config.events);
+            c_dbcsr_acc_opencl_config.events = NULL;
+            c_dbcsr_acc_opencl_config.nevents = 0;
+            result = EXIT_FAILURE;
+          }
+          if (EXIT_SUCCESS != result) {
             free(c_dbcsr_acc_opencl_config.storage);
-            c_dbcsr_acc_opencl_config.handles = NULL;
             c_dbcsr_acc_opencl_config.storage = NULL;
-            c_dbcsr_acc_opencl_config.handle = 0;
-            result = EXIT_FAILURE;
           }
         }
 #  endif
@@ -663,7 +682,7 @@ int c_dbcsr_acc_finalize(void) {
       }
     }
     /* release/reset buffers */
-    free(c_dbcsr_acc_opencl_config.handles);
+    free(c_dbcsr_acc_opencl_config.events);
     free(c_dbcsr_acc_opencl_config.storage);
     free(c_dbcsr_acc_opencl_config.streams);
     /* clear configuration */
@@ -1253,7 +1272,7 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
                   else break;
                 }
 #  if !defined(NDEBUG)
-                if (EXIT_SUCCESS == c_dbcsr_acc_opencl_device_ext(active_id, (const char**)&ext, 1))
+                if (EXIT_SUCCESS == c_dbcsr_acc_opencl_device_ext(active_id, (const char* const*)&ext, 1))
 #  endif
                 { /* NDEBUG: assume given extension is supported (confirmed upfront) */
                   if (NULL == line) { /* extension is not already part of source */
@@ -1318,7 +1337,11 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
                                                 : NULL);
                     if (NULL != src) {
                       if ((size_t)size == fread(src, 1 /*sizeof(char)*/, size /*count*/, file)) {
-                        if (source != ext_source) libxsmm_free((void*)ext_source);
+                        if (source != ext_source) {
+                          void* p = NULL;
+                          LIBXSMM_ASSIGN127(&p, &ext_source);
+                          libxsmm_free(p);
+                        }
                         src[size] = '\0';
                         ext_source = src;
                       }
@@ -1357,7 +1380,11 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
         }
         ok = EXIT_FAILURE;
       }
-      if (source != ext_source) libxsmm_free((void*)ext_source);
+      if (source != ext_source) {
+        void* p = NULL;
+        LIBXSMM_ASSIGN127(&p, &ext_source);
+        libxsmm_free(p);
+      }
       buffer[0] = '\0'; /* reset to empty */
       if (CL_SUCCESS == result) {
         *kernel = clCreateKernel(program, kernel_name, &result);
@@ -1414,7 +1441,9 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
       }
     }
     else if (source != ext_source) { /* error: creating program */
-      libxsmm_free((void*)ext_source);
+      void* p = NULL;
+      LIBXSMM_ASSIGN127(&p, &ext_source);
+      libxsmm_free(p);
     }
   }
   else if (EXIT_SUCCESS == result) { /* binary representation */
@@ -1424,7 +1453,7 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
 #  endif
     {
       program = clCreateProgramWithBinary(
-        context, 1, &active_id, &size_src, (const unsigned char**)(const void*)&source, NULL /*binary_status*/, &result);
+        context, 1, &active_id, &size_src, (const unsigned char**)&source, NULL /*binary_status*/, &result);
     }
     if (CL_SUCCESS == result) {
       assert(NULL != program);
@@ -1443,7 +1472,7 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
 #  endif
           {
             program = clCreateProgramWithBinary(
-              context, 1, &active_id, &size_src, (const unsigned char**)(const void*)&source, NULL /*binary_status*/, &result);
+              context, 1, &active_id, &size_src, (const unsigned char**)&source, NULL /*binary_status*/, &result);
           }
           assert(CL_SUCCESS != result || NULL != program);
           if (CL_SUCCESS == result) {
@@ -1479,8 +1508,10 @@ int c_dbcsr_acc_opencl_kernel(int source_is_file, const char source[], const cha
     }
   }
   if (NULL != file_src) {
+    void* p = NULL;
+    LIBXSMM_ASSIGN127(&p, (const void*)&source);
     assert(0 != source_is_file);
-    libxsmm_free((void*)source);
+    libxsmm_free(p);
   }
 #  if !defined(NDEBUG)
   if (EXIT_SUCCESS != result && NULL != kernel) *kernel = NULL;

diff --git a/src/acc/opencl/acc_opencl.h b/src/acc/opencl/acc_opencl.h
@@ -112,18 +112,21 @@
 #    define ACC_OPENCL_STREAM_PRIORITIES
 #  endif
 #endif
+/** Stream-argument (ACC-interface) can be NULL (synchronous) */
+#if !defined(ACC_OPENCL_STREAM_NULL) && 1
+#  define ACC_OPENCL_STREAM_NULL
+#endif
+
+/** Automatically determine cl_mem offset */
+#if !defined(ACC_OPENCL_MEM_OFFSET) && 1
+#  define ACC_OPENCL_MEM_OFFSET
+#endif
+
 /** Use DBCSR's profile for detailed timings */
 #if !defined(ACC_OPENCL_PROFILE) && 0
 #  define ACC_OPENCL_PROFILE
 #endif
 
-/* can depend on OpenCL implementation (unlikely) */
-#if !defined(ACC_OPENCL_MEM_NOALLOC) && 1
-#  define ACC_OPENCL_MEM_NOALLOC
-#  define ACC_OPENCL_MEM(A) ((cl_mem*)&(A))
-#else
-#  define ACC_OPENCL_MEM(A) ((cl_mem*)(A))
-#endif
 /* attaching c_dbcsr_acc_opencl_info_stream_t is needed */
 #define ACC_OPENCL_STREAM(A) ((cl_command_queue*)(A))
 /* incompatible with c_dbcsr_acc_event_record */
@@ -240,9 +243,9 @@ typedef struct c_dbcsr_acc_opencl_config_t {
   /** Table of devices (thread-specific). */
   c_dbcsr_acc_opencl_device_t* device;
   /** Handle-counter. */
-  size_t handle;
+  size_t nclmems, nevents;
   /** All handles and related storage. */
-  void **handles, *storage;
+  void **clmems, **events, *storage;
   /** All created streams partitioned by thread-ID (thread-local slots). */
   void** streams;
   /** Counts number of streams created (thread-local). */
@@ -293,8 +296,11 @@ typedef struct c_dbcsr_acc_opencl_info_stream_t {
 c_dbcsr_acc_opencl_info_stream_t* c_dbcsr_acc_opencl_info_stream(void* stream);
 const int* c_dbcsr_acc_opencl_stream_priority(const void* stream);
 
+void* c_dbcsr_acc_opencl_stream_default(void);
+
 /** Get host-pointer associated with device-memory (c_dbcsr_acc_dev_mem_allocate). */
 void* c_dbcsr_acc_opencl_get_hostptr(cl_mem memory);
+int c_dbcsr_acc_opencl_memset(void* dev_mem, int value, size_t offset, size_t nbytes, void* stream);
 /** Amount of device memory; local memory is only non-zero if separate from global. */
 int c_dbcsr_acc_opencl_info_devmem(cl_device_id device, size_t* mem_free, size_t* mem_total, size_t* mem_local, int* mem_unified);
 /** Get device associated with thread-ID. */

diff --git a/src/acc/opencl/acc_opencl.sh b/src/acc/opencl/acc_opencl.sh
@@ -37,8 +37,7 @@ then
     -h|--help)
       shift $#;;
     -p|--params)
-      PARAMPATH=yes
-      PARAMS=$2
+      PARAMS="$2\t"
       shift 2;;
     -c|-d|--debug|--comments)
       CPPFLAGS+=" -C"
@@ -50,13 +49,9 @@ then
     esac
   done
   HERE="$(cd "$(dirname "$0")" && pwd -P)"
-  PARAMDIR=$(if [ ! "${PARAMDIR}" ]; then echo "${HERE}/smm/params"; fi)
-  if [ "${PARAMPATH}" ]; then
-    PARAMPATH=${PARAMS}
-  else
-    HERE="$(cd "$(dirname "$0")" && pwd -P)"
-    PARAMPATH=${PARAMDIR}
-  fi
+  PARAMDIR=${PARAMDIR:-${PARAMS}}
+  PARAMDIR=${PARAMDIR:-${HERE}/smm/params}
+  PARAMDIR=$(echo -e "${PARAMDIR}" | ${TR} -d '\t')
   if [ "$#" -gt 1 ]; then
     # allow for instance /dev/stdout
     if [ "${OFILE##*.}" = "h" ]; then
@@ -127,7 +122,7 @@ then
     NFILES_CSV=0
     for CSVFILE in "${CSVFILES[@]}"; do
       if [ "${CSVFILE##*.}" = "csv" ]; then
-        if [ -e "${CSVFILE}" ]; then
+        if [ -f "${CSVFILE}" ]; then
           NFILES_CSV=$((NFILES_CSV+1))
         fi
       else
@@ -136,15 +131,15 @@ then
         exit 1
       fi
     done
-    if [ "0" = "${NFILES_CSV}" ] && [ "${PARAMPATH}" ]; then
-      CSVFILES=("${PARAMPATH}"/*.csv)
+    if [ "0" = "${NFILES_CSV}" ] && [ "${PARAMDIR}" ] && [ -d "${PARAMDIR}" ]; then
+      CSVFILES=("${PARAMDIR}"/*.csv)
       NFILES_CSV=${#CSVFILES[@]}
     fi
     for CSVFILE in "${CSVFILES[@]}"; do
       if [ ! "${DELIM}" ]; then
-        SEPAR=$(${SED} -n "1s/[^${DELIMS}]//gp" "${CSVFILE}")
+        SEPAR=$(${SED} -n "1s/[^${DELIMS}]//gp" "${CSVFILE}" 2>/dev/null)
         DELIM=${SEPAR:0:1}
-        MATCH=$(${SED} -n "1s/[^${DELIM}]//gp" "${CSVFILE}")
+        MATCH=$(${SED} -n "1s/[^${DELIM}]//gp" "${CSVFILE}" 2>/dev/null)
       fi
       if [ "${DELIM}" ]; then
         CHECK=$(${SED} "/^[[:space:]]*$/d;s/[^${DELIM}]//g" "${CSVFILE}" | ${SORT} -u | ${SED} -n "0,/./p")
@@ -156,7 +151,7 @@ then
       else
         ERRFILE=${CSVFILE}
       fi
-      if [ "${ERRFILE}" ]; then
+      if [ "${ERRFILE}" ] && [ -f "${ERRFILE}" ]; then
         >&2 echo "ERROR: ${ERRFILE} is malformed!"
         if [ "${HFILE}" ]; then ${RM} -f "${OFILE}"; fi
         exit 1

diff --git a/src/acc/opencl/acc_opencl_event.c b/src/acc/opencl/acc_opencl_event.c
@@ -68,12 +68,12 @@ int c_dbcsr_acc_event_create(void** event_p) {
   if (EXIT_SUCCESS == result)
 #  endif
   {
-    assert(NULL == c_dbcsr_acc_opencl_config.handles || sizeof(void*) >= sizeof(cl_event));
+    assert(NULL == c_dbcsr_acc_opencl_config.events || sizeof(void*) >= sizeof(cl_event));
     *event_p = (
 #  if LIBXSMM_VERSION4(1, 17, 0, 0) < LIBXSMM_VERSION_NUMBER && defined(ACC_OPENCL_HANDLES_MAXCOUNT) && \
     (0 < ACC_OPENCL_HANDLES_MAXCOUNT)
-      NULL != c_dbcsr_acc_opencl_config.handles
-        ? libxsmm_pmalloc(c_dbcsr_acc_opencl_config.handles, &c_dbcsr_acc_opencl_config.handle)
+      NULL != c_dbcsr_acc_opencl_config.events
+        ? libxsmm_pmalloc(c_dbcsr_acc_opencl_config.events, &c_dbcsr_acc_opencl_config.nevents)
         :
 #  endif
         malloc(sizeof(cl_event)));
@@ -110,9 +110,9 @@ int c_dbcsr_acc_event_destroy(void* event) {
     if (NULL != clevent) result = clReleaseEvent(clevent);
 #  if LIBXSMM_VERSION4(1, 17, 0, 0) < LIBXSMM_VERSION_NUMBER && defined(ACC_OPENCL_HANDLES_MAXCOUNT) && \
     (0 < ACC_OPENCL_HANDLES_MAXCOUNT)
-    if (NULL != c_dbcsr_acc_opencl_config.handles) {
+    if (NULL != c_dbcsr_acc_opencl_config.events) {
       /**(cl_event*)event = NULL; assert(NULL == *ACC_OPENCL_EVENT(event));*/
-      libxsmm_pfree(event, c_dbcsr_acc_opencl_config.handles, &c_dbcsr_acc_opencl_config.handle);
+      libxsmm_pfree(event, c_dbcsr_acc_opencl_config.events, &c_dbcsr_acc_opencl_config.nevents);
     }
     else
 #  endif