added single node tests for nuccor_kernels

olcf-harness-v1.0-tests/Crest/nuccor_kernels/Source/get_wall_time.c

+/*---------------------------------------------------------------------------*/
+/*!
+ * \file   get_wall_time.c
+ * \author Wayne Joubert
+ * \date   Wed Nov  4 09:56:36 EST 2015
+ * \brief  Fortran/C interface to gettimeofday function.
+ * \note   Copyright (C) 2015 Oak Ridge National Laboratory, UT-Battelle, LLC.
+ */
+/*---------------------------------------------------------------------------*/
+
+#include <stddef.h>
+
+#include <sys/time.h>
+
+/*---------------------------------------------------------------------------*/
+
+void get_wall_time (double* time) {
+  struct timeval tv;
+  gettimeofday(&tv, NULL);
+  *time = ((double)tv.tv_sec + (double)tv.tv_usec * 1.e-6);
+}
+
+void get_wall_time_ (double* time) {
+  get_wall_time (time);
+}
+
+void GET_WALL_TIME (double* time) {
+  get_wall_time (time);
+}
+
+void GET_WALL_TIME_ (double* time) {
+  get_wall_time (time);
+}
+
+/*---------------------------------------------------------------------------*/

olcf-harness-v1.0-tests/Crest/nuccor_kernels/Source/make.sh

+#!/bin/bash
+#==============================================================================
+
+if [ "$PE_ENV" == "PGI" ] ; then
+  #------------------------------
+  echo "Compiling with PGI compiler, C version ..."
+  EXECUTABLE=nuccor_dgemm_titan_c_pgi
+  module load cudatoolkit
+  module load acml
+  #module load cray-libsci
+  cc -c get_wall_time.c
+  cc -o $EXECUTABLE nuccor_dgemm.c get_wall_time.o \
+    $CRAY_CUDATOOLKIT_INCLUDE_OPTS \
+    -fast -acc -ta=nvidia:rdc -Minfo=accel \
+    -lcublas -lacml
+  #-lsci_pgi
+  module unload acml
+  #module unload cray-libsci
+  module unload cudatoolkit
+  rm -f *.o
+  #------------------------------
+  echo "Compiling with PGI compiler, Fortran version ..."
+  EXECUTABLE=nuccor_dgemm_titan_f_pgi
+  module load cudatoolkit
+  module load acml
+  module unload cray-libsci_acc
+  cc -c get_wall_time.c
+  ftn -o $EXECUTABLE nuccor_dgemm.F90 get_wall_time.o \
+    $CRAY_CUDATOOLKIT_INCLUDE_OPTS \
+    -fast -acc -ta=nvidia -Minfo=accel -Mcuda \
+    -lacml
+  module load cray-libsci_acc
+  module unload acml
+  module unload cudatoolkit
+  rm -f *.o
+  #------------------------------
+  echo "Compiling with Cray compiler, Fortran version ..."
+  EXECUTABLE=nuccor_dgemm_titan_f_cray
+  module swap PrgEnv-pgi PrgEnv-cray
+  module load craype-accel-nvidia35
+  cc -c get_wall_time.c
+  ftn -o $EXECUTABLE nuccor_dgemm.F90 get_wall_time.o \
+    -m 3 -O 2 -e m -O noomp
+  # -lsci_cray
+  module swap PrgEnv-cray PrgEnv-pgi
+  module unload craype-accel-nvidia35
+  rm -f *.o
+  #------------------------------
+fi
+
+if [ "$(uname -n | grep '^crest' | wc -l)" = 1 ] ; then
+  #------------------------------
+  echo "Compiling with PGI compiler, C version ..."
+  EXECUTABLE=nuccor_dgemm_crest_c_pgi
+  module load pgi
+  module load cuda
+  pgcc -c get_wall_time.c
+  pgcc -o $EXECUTABLE nuccor_dgemm.c get_wall_time.o \
+    -fast -acc -ta=nvidia:rdc -Minfo=accel \
+    -L/usr/local/cuda-7.5/lib64/ \
+    -lcublas_static -lcudart -lculibos -ldl -lpthread \
+    -L/sw/power8/lapack/3.5.0/ppc64le_gnu4.9.2/lib -lrefblas \
+    /sw/power8/lapack/3.5.0/ppc64le_gnu4.9.2/lib/librefblas.a \
+    /usr/lib/gcc/powerpc64le-linux-gnu/4.9/libgfortran.a
+
+  #------------------------------
+  #pgcc -o nuccor_dgemm nuccor_dgemm.c get_wall_time.o -lcublas -Mcuda
+  #pgf90 -o nuccor_dgemm nuccor_dgemm.F90 get_wall_time.o -O3
+  rm -f *.o
+fi
+
+if [ -x $EXECUTABLE ]
+then
+  echo "Build completed successfully."
+else
+  exit_status="$?"
+  echo "Build failed! (Exit: ${exit_status})"
+  exit ${exit_status}
+fi
+
+exit 0
+#==============================================================================

olcf-harness-v1.0-tests/Crest/nuccor_kernels/Source/nuccor_dgemm.F90

+!------------------------------------------------------------------------------
+!
+!  \file   nuccor_dgemm.F90
+!  \author Wayne Joubert
+!  \date   Wed Nov  4 09:56:36 EST 2015
+!  \brief  Perform DGEMMs to simulate those of a NUCCOR run.
+!  \note   Copyright (C) 2015 Oak Ridge National Laboratory, UT-Battelle, LLC.
+!
+!------------------------------------------------------------------------------
+
+      program main
+      implicit none
+
+      !--------------------
+
+      interface
+        subroutine get_wall_time (time)
+        use, intrinsic :: iso_c_binding, only : c_double
+        implicit none
+        real(c_double) :: time
+        end subroutine
+      end interface
+
+      interface
+        subroutine matrices_create (a1, a2, a3, m, n)
+        implicit none
+        doubleprecision, dimension(:,:), allocatable :: a1, a2, a3
+        integer :: m, n
+        end subroutine
+      end interface
+
+      interface
+        subroutine matrices_destroy (a1, a2, a3)
+        implicit none
+        doubleprecision, dimension(:,:), allocatable :: a1, a2, a3
+        end subroutine
+      end interface
+
+      interface
+        subroutine compute_product_gpu (c, a1, a2, a3)
+        implicit none
+        doubleprecision, dimension(:,:), allocatable :: c, a1, a2, a3
+        end subroutine
+      end interface
+
+      interface
+        subroutine compute_product_cpu (c, a1, a2, a3)
+        implicit none
+        doubleprecision, dimension(:,:), allocatable :: c, a1, a2, a3
+        end subroutine
+      end interface
+
+      interface
+        subroutine compute_product_ref (c, a1, a2, a3)
+        implicit none
+        doubleprecision, dimension(:,:), allocatable :: c, a1, a2, a3
+        end subroutine
+      end interface
+
+      !--------------------
+
+      integer, dimension(:,:), allocatable :: dims
+      integer :: num_triples
+      integer :: i, m, n
+
+      doubleprecision, dimension(:,:), allocatable :: a1, a2, a3, c
+      doubleprecision, dimension(:,:), allocatable :: c_correct
+
+      doubleprecision :: time_1, time_2
+      doubleprecision :: time_this_gpu, time_this_cpu
+      doubleprecision :: time_total_gpu, time_total_cpu
+      doubleprecision :: diff
+      integer :: num_failures
+      !doubleprecision, external :: MPI_Wtime
+
+      !--------------------
+
+      num_triples = 0
+      i = 0; m = 0; n = 0
+      time_1 = 0; time_2 = 0
+      time_this_gpu = 0; time_this_cpu = 0
+      time_total_gpu = 0; time_total_cpu = 0
+      diff = 0
+      num_failures = 0
+
+      !---Read in matrix sizes for each matrix triple.
+
+      open (unit=12, file='sizes.txt', action='READ')
+      read (12, *) num_triples
+      allocate (dims(2, num_triples))
+      do i = 1, num_triples
+        read (12, *) dims(:,i)
+      enddo
+      close (unit=12)
+      print *, num_triples
+
+      !---Loop over matrix triples.
+
+      do i = 1, num_triples
+
+        m = dims(1, i)
+        n = dims(2, i)
+
+        call matrices_create (a1, a2, a3, m, n)
+        allocate (c(n, n))
+
+        !---Compute mat^T * mat * mat.
+
+        call get_wall_time(time_1)
+
+        call compute_product_gpu (c, a1, a2, a3)
+
+        call get_wall_time(time_2)
+        time_this_gpu = time_2 - time_1
+        time_total_gpu = time_total_gpu + time_this_gpu
+
+        !---Compute reference answer.
+
+        allocate (c_correct(n, n))
+        call get_wall_time(time_1)
+        !time_1 = MPI_Wtime()
+
+        call compute_product_cpu (c_correct, a1, a2, a3)
+
+        call get_wall_time(time_2)
+        !time_2 = MPI_Wtime()
+        time_this_cpu = time_2 - time_1
+        time_total_cpu = time_total_cpu + time_this_cpu
+
+        !---Perform check.
+
+        diff = sum( abs( c - c_correct ) )
+        if ( diff .ne. 0.d0 ) then
+          num_failures = num_failures + 1
+        endif
+        deallocate (c_correct)
+
+        write(*, '(3(1x, i5), ''  tgpu '' f10.6, ''  tcpu '', f10.6, ' &
+                 // ' ''  rat '',f5.2, ''  dif '', e6.1)') &
+             i, m, n, time_this_gpu, time_this_cpu, &
+            time_this_cpu/time_this_gpu, diff
+
+        call matrices_destroy (a1, a2, a3)
+        deallocate (c)
+      enddo
+
+      write(*, '('' FINAL: num_triples '', i5, ''  tgpu '' f9.3, ' // &
+               ' ''  tcpu '', f9.3, ''  num_failures '', i5)') &
+           num_triples, time_total_gpu, time_total_cpu, num_failures
+
+      deallocate (dims)
+
+      end
+!-----------------------------------------------------------------------------
+
+      subroutine compute_product_gpu (c, a1, a2, a3)
+#ifdef __PGI
+      use cublas
+#endif
+      implicit none
+
+      doubleprecision, dimension(:,:), allocatable :: c, a1, a2, a3
+
+      integer, parameter :: COMPUTE_METHOD_CPU = 1
+      integer, parameter :: COMPUTE_METHOD_GPU_SYNC = 2
+      integer, parameter :: COMPUTE_METHOD_GPU_ASYNC = 3
+      integer, parameter :: COMPUTE_METHOD_GPU_PANELS = 4
+      doubleprecision, parameter :: alpha = 1, beta = 0
+      doubleprecision, dimension(:,:), allocatable :: b
+      integer :: m, n, i, j, k
+      integer :: m_, n_, k_
+      integer :: compute_method_requested
+      integer :: compute_method_actual
+
+      integer :: num_panel, panel_num
+      integer :: index_lo, index_hi
+      integer :: index_lo_prev, index_hi_prev
+      integer :: panel_width, panel_width_prev
+      logical :: is_compute_step, is_compute_step_prev
+
+      !----------------------------------------
+
+      m = 0; n = 0; i = 0; j = 0; k = 0
+      m_ = 0; n_ = 0; k_ = 0
+      compute_method_requested = 0
+      compute_method_actual = 0
+      num_panel = 0; panel_num = 0
+      index_lo = 0; index_hi = 0
+      index_lo_prev = 0; index_hi_prev = 0
+      panel_width = 0; panel_width_prev = 0
+      is_compute_step = .false.; is_compute_step_prev = .false.
+
+      m = size(a1, 1)
+      n = size(a1, 2)
+
+      allocate (b(m, n))
+
+      !---Select the desired compute method here.
+
+      !compute_method_requested = COMPUTE_METHOD_GPU_SYNC
+      compute_method_requested = COMPUTE_METHOD_GPU_ASYNC
+      !compute_method_requested = COMPUTE_METHOD_GPU_PANELS
+
+      !---End select.
+
+      compute_method_actual = compute_method_requested
+
+#ifndef __PGI
+      !---Cray compiler is buggy so do simple way.
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_ASYNC .or. &
+           compute_method_actual .eq. COMPUTE_METHOD_GPU_PANELS ) then
+        compute_method_actual = COMPUTE_METHOD_GPU_SYNC
+      endif
+#endif
+
+      !========================================
+      !---B = A2 * A3.
+      !========================================
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_CPU ) then
+        do i = 1, m
+          do j = 1, n
+            b(i, j) = 0
+            do k = 1, m
+              b(i, j) = b(i, j) + a2(i, k) * a3(k, j)
+            enddo
+          enddo
+        enddo
+      endif
+
+      !----------------------------------------
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_SYNC ) then
+        m_ = m
+        k_ = m
+        n_ = n
+        !$acc enter data create(b)
+        !$acc enter data copyin(a2)
+        !$acc enter data copyin(a3)
+        !$acc wait(0)
+        !$acc host_data use_device(a2, a3, b) 
+#ifdef __PGI
+        call cublasdgemm ('n', 'n', m_, n_, k_, alpha, a2, m_, &
+                          a3, k_, beta, b, m_)
+#else
+        call dgemm_acc ('n', 'n', m_, n_, k_, alpha, a2, m_, &
+                        a3, k_, beta, b, m_)
+#endif
+        !$acc wait(0)
+        !$acc end host_data
+        !$acc exit data delete(a3)
+        !$acc exit data delete(a2)
+        !$acc exit data
+        ! !$acc exit data copyout(b)
+        !$acc wait(0)
+      endif
+
+      !----------------------------------------
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_ASYNC .or. &
+           compute_method_actual .eq. COMPUTE_METHOD_GPU_PANELS ) then
+        m_ = m
+        k_ = m
+        n_ = n
+        !$acc enter data create(b)
+        !$acc enter data copyin(a2) async(2)
+        !$acc enter data copyin(a3) async(3)
+        !$acc wait(0)
+        !$acc wait(2)
+        !$acc wait(3)
+        !$acc host_data use_device(a2, a3, b) 
+#ifdef __PGI
+        call cublasdgemm ('n', 'n', m_, n_, k_, alpha, a2, m_, &
+                          a3, k_, beta, b, m_)
+#else
+        call dgemm_acc ('n', 'n', m_, n_, k_, alpha, a2, m_, &
+                        a3, k_, beta, b, m_)
+#endif
+        !$acc wait(0)
+        !$acc end host_data
+        !$acc exit data delete(a3)
+        !$acc exit data delete(a2)
+        !$acc exit data
+        ! !$acc exit data copyout(b)
+        !$acc wait(0)
+      endif
+
+      !========================================
+      !---C = ( A1 ^ T ) * B.
+      !========================================
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_CPU ) then
+        do i = 1, n
+          do j = 1, n
+            c(i, j) = 0
+            do k = 1, m
+              c(i, j) = c(i, j) + a1(k, i) * b(k, j)
+            enddo
+          enddo
+        enddo
+      endif
+
+      !----------------------------------------
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_SYNC ) then
+        m_ = n
+        k_ = m
+        n_ = n
+        !$acc enter data create(c)
+        !$acc enter data copyin(a1)
+        !$acc enter data present_or_copyin(b)
+        !$acc host_data use_device(a1, b, c) 
+        !$acc wait(0)
+#ifdef __PGI
+        call cublasdgemm ('t', 'n', m_, n_, k_, alpha, a1, k_, &
+                          b, k_, beta, c, m_)
+#else
+        call dgemm_acc ('t', 'n', m_, n_, k_, alpha, a1, k_, &
+                        b, k_, beta, c, m_)
+#endif
+        !$acc wait(0)
+        !$acc end host_data
+        !$acc exit data delete(b)
+        !$acc exit data delete(a1)
+        !$acc exit data copyout(c)
+        !$acc wait(0)
+      endif
+
+      !----------------------------------------
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_ASYNC ) then
+        m_ = n
+        k_ = m
+        n_ = n
+        !$acc enter data create(c)
+        !$acc enter data copyin(a1) async(2)
+        !$acc enter data present_or_copyin(b) async(3)
+        !$acc host_data use_device(a1, b, c) 
+        !$acc wait(0)
+        !$acc wait(2)
+        !$acc wait(3)
+#ifdef __PGI
+        call cublasdgemm ('t', 'n', m_, n_, k_, alpha, a1, k_, &
+                          b, k_, beta, c, m_)
+#else
+        call dgemm_acc ('t', 'n', m_, n_, k_, alpha, a1, k_, &
+                        b, k_, beta, c, m_)
+#endif
+        !$acc wait(0)
+        !$acc end host_data
+        !$acc exit data delete(b)
+        !$acc exit data delete(a1)
+        !$acc exit data copyout(c) async(1)
+        !$acc wait(0)
+        !$acc wait(1)
+      endif
+
+      !----------------------------------------
+      !---NOTE: the code below works correctly (PGI) but is currently not
+      !---performant any better than the other methods.
+      !---Apparently the transfers and compute are not being overlapped.
+      !----------------------------------------
+
+      !----------------------------------------
+      !---The following code is motivated by the following:
+      !---1) the second, "tn" computation seems to take much more time
+      !---than the first, "nn" computation;
+      !---2) the transfer-out from the GPU of the result c matrix
+      !---seems to take more time than the transfer-in of the a matrix
+      !---due to size.
+      !---Thus the following code creates a pipeline: the dgemm is done
+      !---in panels, with the previous panel transfer-out overlapped
+      !---with the current panel compute.
+      !----------------------------------------
+
+      if ( compute_method_actual .eq. COMPUTE_METHOD_GPU_PANELS ) then
+        m_ = n
+        k_ = m
+        n_ = n
+        !$acc enter data copyin(a1) async(2)
+        !$acc enter data present_or_copyin(b) async(3)
+        !$acc enter data create(c)
+        !$acc wait (0)
+        !$acc wait (2)
+        !$acc wait (3)
+
+        if ( n .gt. 1000 ) then
+          num_panel = 2
+        else
+          num_panel = 1
+        endif
+
+        do panel_num = 0, num_panel
+
+          !---The following are zero-based.
+
+          is_compute_step      = panel_num .ge. 0 .and. &
+                                 panel_num .lt. num_panel
+          is_compute_step_prev = panel_num .gt. 0 .and. &
+                                 panel_num .le. num_panel
+
+          index_lo = ( ( panel_num     ) * n ) / num_panel
+          index_hi = ( ( panel_num + 1 ) * n ) / num_panel - 1
+
+          index_lo_prev = ( ( panel_num - 1 ) * n ) / num_panel
+          index_hi_prev = ( ( panel_num     ) * n ) / num_panel - 1
+
+          panel_width = index_hi - index_lo + 1
+          panel_width_prev = index_hi_prev - index_lo_prev + 1
+
+          if ( is_compute_step ) then
+          if ( panel_width .gt. 0 ) then
+            !$acc host_data use_device(a1, b, c) 
+#ifdef __PGI
+            !---NEED to launch this asynchronously
+            call cublasdgemm ( 't', 'n', &
+                     m_, panel_width, k_, alpha, a1, k_, &
+                     b(:,1+index_lo:), k_, beta, c(:,1+index_lo:), m_)
+#else
+            call dgemm_acc_openacc_async ( 14, 't', 'n', &
+                     m_, panel_width, k_, alpha, a1, k_, &
+                     b(:,1+index_lo:), k_, beta, c(:,1+index_lo:), m_)
+#endif
+            !$acc end host_data
+          endif
+          endif
+
+          if ( is_compute_step_prev ) then
+          if ( panel_width_prev .gt. 0 ) then
+            !$acc update host(c(:,1+index_lo_prev:1+index_hi_prev))
+          endif
+          endif
+
+          !$acc wait(14)
+          !$acc wait(0)
+
+        enddo !---panel_num
+
+        !$acc exit data delete(c)
+        !$acc exit data delete(b)
+        !$acc exit data delete(a1)
+        !$acc wait (0)
+
+      endif
+
+      !----------------------------------------
+
+      deallocate (b)
+