Some changes to make compile again with oneAPI compiler

configure.ac

@@ -878,12 +878,14 @@ m4_define(elpa_m4_bgq_kernels, [
         complex_bgq
 ])
 
-m4_define(elpa_m4_gpu_kernels, [
-        real_gpu
-        complex_gpu
+m4_define(elpa_m4_nvidia_gpu_kernels, [
+        real_nvidia_gpu
+        complex_nvidia_gpu
+        real_amd_gpu
+        complex_amd_gpu
 ])
 
-m4_define(elpa_m4_kernel_types, [generic sparc64 neon_arch64 vsx sse sse_assembly sve128 avx avx2 sve256 avx512 sve512 bgp bgq gpu])
+m4_define(elpa_m4_kernel_types, [generic sparc64 neon_arch64 vsx sse sse_assembly sve128 avx avx2 sve256 avx512 sve512 bgp bgq nvidia_gpu])
 
 m4_define(elpa_m4_all_kernels,
           m4_foreach_w([elpa_m4_type],
@@ -927,7 +929,7 @@ ELPA_SELECT_KERNELS([avx512],[enable])
 ELPA_SELECT_KERNELS([sve128],[disable])
 ELPA_SELECT_KERNELS([sve256],[disable])
 ELPA_SELECT_KERNELS([sve512],[disable])
-ELPA_SELECT_KERNELS([gpu],[disable])
+ELPA_SELECT_KERNELS([nvidia_gpu],[disable])
 ELPA_SELECT_KERNELS([bgp],[disable])
 ELPA_SELECT_KERNELS([bgq],[disable])
 
@@ -976,8 +978,8 @@ if test x"$with_gpu_support_only" = x"yes" ; then
         m4_foreach_w([elpa_m4_kernel],elpa_m4_all_kernels,[
                       use_[]elpa_m4_kernel[]=no
         ])
-        use_real_gpu=yes
-        use_complex_gpu=yes
+        use_real_nvida_gpu=yes
+        use_complex_nvidia_gpu=yes
 fi
 
 
@@ -1054,7 +1056,7 @@ m4_foreach_w([elpa_m4_kind],[real complex],[
 m4_foreach_w([elpa_m4_kind],[real complex],[
         m4_foreach_w([elpa_m4_kernel],
                      m4_foreach_w([elpa_m4_cand_kernel],
-                                  elpa_m4_avx512_kernels elpa_m4_avx2_kernels elpa_m4_avx_kernels elpa_m4_sse_kernels elpa_m4_sse_assembly_kernels elpa_m4_sve128_kernels elpa_m4_sve256_kernels elpa_m4_sve512_kernels elpa_m4_sparc64_kernels elpa_m4_neon_arch64_kernels elpa_m4_vsx_kernels elpa_m4_generic_kernels elpa_m4_gpu_kernels,
+                                  elpa_m4_avx512_kernels elpa_m4_avx2_kernels elpa_m4_avx_kernels elpa_m4_sse_kernels elpa_m4_sse_assembly_kernels elpa_m4_sve128_kernels elpa_m4_sve256_kernels elpa_m4_sve512_kernels elpa_m4_sparc64_kernels elpa_m4_neon_arch64_kernels elpa_m4_vsx_kernels elpa_m4_generic_kernels elpa_m4_nvidia_gpu_kernels,
                                   [m4_bmatch(elpa_m4_cand_kernel,elpa_m4_kind,elpa_m4_cand_kernel)] ),
                      [
                      if test -z "$default_[]elpa_m4_kind[]_kernel"; then
@@ -1477,8 +1479,8 @@ AC_ARG_ENABLE([Nvidia-gpu],
 AC_MSG_RESULT([${use_nvidia_gpu}])
 if test x"${use_nvidia_gpu}" = x"yes" ; then
   need_nvidia_gpu=yes
-  use_real_gpu=yes
-  use_complex_gpu=yes
+  use_nvidia_real_gpu=yes
+  use_nvidia_complex_gpu=yes
 fi
 
 AC_MSG_CHECKING(whether INTEL GPU version should be used)
@@ -1514,8 +1516,8 @@ if test x"${use_amd_gpu}" = x"yes" ; then
   ########################################
   # must be changed
   #######################################
-  use_real_gpu=no
-  use_complex_gpu=no
+  use_real_amd_gpu=no
+  use_complex_amd_gpu=no
 fi
 
 
@@ -1607,8 +1609,8 @@ AM_CONDITIONAL([WITH_NVIDIA_GPU_VERSION],[test x"$use_real_gpu" = x"yes" -o x"$u
 if test x"$use_real_gpu" = x"yes" -o x"$use_complex_gpu" = x"yes" ; then
   AC_DEFINE([WITH_NVIDIA_GPU_VERSION],[1],[enable Nvidia GPU support])
   AC_DEFINE([WITH_NVIDIA_GPU_KERNEL],[1],[Nvidia GPU kernel should be build])
-  ELPA_2STAGE_COMPLEX_GPU_COMPILED=1
-  ELPA_2STAGE_REAL_GPU_COMPILED=1
+  ELPA_2STAGE_COMPLEX_NVIDIA_GPU_COMPILED=1
+  ELPA_2STAGE_REAL_NVIDIA_GPU_COMPILED=1
 
   AC_MSG_CHECKING(whether --enable-nvtx is specified)
   AC_ARG_ENABLE([nvtx],
@@ -1633,8 +1635,8 @@ if test x"$use_real_gpu" = x"yes" -o x"$use_complex_gpu" = x"yes" ; then
     AC_LANG_POP([C])
   fi
 else
-  ELPA_2STAGE_COMPLEX_GPU_COMPILED=0
-  ELPA_2STAGE_REAL_GPU_COMPILED=0
+  ELPA_2STAGE_COMPLEX_NVIDIA_GPU_COMPILED=0
+  ELPA_2STAGE_REAL_NVIDIA_GPU_COMPILED=0
 fi
 
 
@@ -1671,10 +1673,8 @@ else
   ELPA_2STAGE_COMPLEX_AMD_GPU_COMPILED=0
   ELPA_2STAGE_REAL_AMD_GPU_COMPILED=0
 fi
-
-
-AC_SUBST([ELPA_2STAGE_COMPLEX_GPU_COMPILED])
-AC_SUBST([ELPA_2STAGE_REAL_GPU_COMPILED])
+AC_SUBST([ELPA_2STAGE_COMPLEX_AMD_GPU_COMPILED])
+AC_SUBST([ELPA_2STAGE_REAL_AMD_GPU_COMPILED])
 
 AM_CONDITIONAL([WITH_INTEL_GPU_VERSION],[test x"$use_real_intel_gpu" = x"yes" -o x"$use_complex_intel_gpu" = x"yes"])
 if test x"$use_real_intel_gpu" = x"yes" -o x"$use_complex_intel_gpu" = x"yes" ; then
@@ -2021,7 +2021,7 @@ AC_CONFIG_FILES([
 m4_include([m4/ax_fc_check_define.m4])
 AC_MSG_CHECKING([if workaround for broken preprocessor is needed])
 
-need_manual_cpp=no
+need_manual_cpp=yes
 AX_FC_CHECK_DEFINE([__INTEL_COMPILER],[is_intel=yes],[])
 AX_FC_CHECK_DEFINE([__PGI],[is_pgi=yes],[])
 ACTUAL_FC="$FC"

elpa/elpa_constants.h.in

@@ -50,7 +50,7 @@ enum ELPA_SOLVERS {
         X(ELPA_2STAGE_REAL_AVX512_BLOCK2, 15, @ELPA_2STAGE_REAL_AVX512_BLOCK2_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_REAL_AVX512_BLOCK4, 16, @ELPA_2STAGE_REAL_AVX512_BLOCK4_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_REAL_AVX512_BLOCK6, 17, @ELPA_2STAGE_REAL_AVX512_BLOCK6_COMPILED@, __VA_ARGS__) \
-        X(ELPA_2STAGE_REAL_GPU, 18, @ELPA_2STAGE_REAL_GPU_COMPILED@, __VA_ARGS__) \
+        X(ELPA_2STAGE_REAL_NVIDIA_GPU, 18, @ELPA_2STAGE_REAL_NVIDIA_GPU_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_REAL_SPARC64_BLOCK2, 19, @ELPA_2STAGE_REAL_SPARC64_BLOCK2_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_REAL_SPARC64_BLOCK4, 20, @ELPA_2STAGE_REAL_SPARC64_BLOCK4_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_REAL_SPARC64_BLOCK6, 21, @ELPA_2STAGE_REAL_SPARC64_BLOCK6_COMPILED@, __VA_ARGS__) \
@@ -104,7 +104,7 @@ enum ELPA_REAL_KERNELS {
         X(ELPA_2STAGE_COMPLEX_SVE512_BLOCK2, 19, @ELPA_2STAGE_COMPLEX_SVE512_BLOCK2_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_COMPLEX_NEON_ARCH64_BLOCK1, 20, @ELPA_2STAGE_COMPLEX_NEON_ARCH64_BLOCK1_COMPILED@, __VA_ARGS__) \
         X(ELPA_2STAGE_COMPLEX_NEON_ARCH64_BLOCK2, 21, @ELPA_2STAGE_COMPLEX_NEON_ARCH64_BLOCK2_COMPILED@, __VA_ARGS__) \
-        X(ELPA_2STAGE_COMPLEX_GPU, 22, @ELPA_2STAGE_COMPLEX_GPU_COMPILED@, __VA_ARGS__) 
+        X(ELPA_2STAGE_COMPLEX_NVIDIA_GPU, 22, @ELPA_2STAGE_COMPLEX_NVIDIA_GPU_COMPILED@, __VA_ARGS__) 
 
 #define ELPA_FOR_ALL_2STAGE_COMPLEX_KERNELS_AND_DEFAULT(X) \
         ELPA_FOR_ALL_2STAGE_COMPLEX_KERNELS(X) \

generate_automake_test_programs.py

@@ -21,8 +21,9 @@ solver_flag = {
     "scalapack_part": "-DTEST_SCALAPACK_PART",
 }
 gpu_flag = {
-    0: "-DTEST_GPU=0",
-    1: "-DTEST_GPU=1",
+    "GPU_OFF": "-DTEST_NVIDIA_GPU=0 -DTEST_INTEL_GPU=0",
+    "NVIDIA_GPU_ON": "-DTEST_NVIDIA_GPU=1",
+    "INTEL_GPU_ON": "-DTEST_INTEL_GPU=1",
 }
 gpu_id_flag = {
     0: "-DTEST_GPU_SET_ID=0",
@@ -86,14 +87,14 @@ for lang, m, g, gid, q, t, p, d, s, lay, spl in product(sorted(language_flag.key
     # exclude some test combinations
 
     # analytic tests only for "eigenvectors" and not on GPU
-    if(m == "analytic" and (g == 1 or t != "eigenvectors")):
+    if(m == "analytic" and ( g == "NVIDIA_GPU_ON" or g == "INTEL_GPU_ON" or t != "eigenvectors")):
         continue
 
     # Frank tests only for "eigenvectors" and eigenvalues and real double precision case
     if(m == "frank" and ((t != "eigenvectors" or t != "eigenvalues") and (d != "real" or p != "double"))):
         continue
 
-    if(s in ["scalapack_all", "scalapack_part"] and (g == 1 or t != "eigenvectors" or m != "analytic")):
+    if(s in ["scalapack_all", "scalapack_part"] and (g == "NVIDIA_GPU_ON" or g == "INTEL_GPU_ON" or t != "eigenvectors" or m != "analytic")):
         continue
 
     # do not test single-precision scalapack
@@ -127,7 +128,7 @@ for lang, m, g, gid, q, t, p, d, s, lay, spl in product(sorted(language_flag.key
         continue
 
     # qr only for 2stage real
-    if (q == 1 and (s != "2stage" or d != "real" or t != "eigenvectors" or g == 1 or m != "random")):
+    if (q == 1 and (s != "2stage" or d != "real" or t != "eigenvectors" or g == "NVIDIA_GPU_ON" or "INTEL_GPU_ON" or m != "random")):
         continue
 
     if(spl == "myself" and (d != "real" or p != "double" or q != 0 or m != "random" or (t != "eigenvectors" and t != "cholesky")  or lang != "Fortran" or lay != "square")):
@@ -154,10 +155,14 @@ for lang, m, g, gid, q, t, p, d, s, lay, spl in product(sorted(language_flag.key
             print("if ENABLE_C_TESTS")
             endifs += 1
 
-        if (g == 1):
+        if (g == "NVIDIA_GPU_ON"):
             print("if WITH_NVIDIA_GPU_VERSION")
             endifs += 1
 
+        if (g == "INTEL_GPU_ON"):
+            print("if WITH_INTEL_GPU_VERSION")
+            endifs += 1
+
         if (lay == "all_layouts"):
             print("if WITH_MPI")
             endifs += 1
@@ -190,7 +195,7 @@ for lang, m, g, gid, q, t, p, d, s, lay, spl in product(sorted(language_flag.key
             langsuffix=language_flag[lang],
             d=d, p=p, t=t, s=s,
             kernelsuffix="" if kernel == "nokernel" else "_" + kernel,
-            gpusuffix="gpu_" if g else "",
+            gpusuffix="gpu_" if  (g == "NVIDIA_GPU_ON" or g == "INTEL_GPU_ON") else "",
             gpuidsuffix="set_gpu_id_" if gid else "",
             qrsuffix="qr_" if q else "",
             m=m,

src/GPU/check_for_gpu.F90

@@ -110,6 +110,7 @@ module mod_check_for_gpu
           endif
         endif
 
+        success = .true.
 #ifdef WITH_NVIDIA_GPU_VERSION
         success = cuda_setdevice(use_gpu_id)
 #endif
@@ -128,7 +129,8 @@ module mod_check_for_gpu
         if (wantDebugMessage) then
           print '(3(a,i0))', 'MPI rank ', myid, ' uses GPU #', deviceNumber
         endif
-          
+ 
+        success = .true.        
 #ifdef WITH_NVIDIA_GPU_VERSION
         success = cublas_create(cublasHandle)
 #endif
@@ -159,6 +161,7 @@ module mod_check_for_gpu
           endif
         endif
 
+        success = .true.
 #ifdef WITH_NVIDIA_GPU_VERSION
         ! call getenv("CUDA_PROXY_PIPE_DIRECTORY", envname)
         success = cuda_getdevicecount(numberOfDevices)

src/GPU/mod_vendor_agnostic_layer.F90

@@ -2,7 +2,9 @@
 module elpa_gpu
   use precision
   use iso_c_binding
-
+#ifdef WITH_INTEL_GPU_VERSION
+  use mkl_offload
+#endif
   integer(kind=c_int), parameter :: nvidia_gpu = 1
   integer(kind=c_int), parameter :: amd_gpu = 2
   integer(kind=c_int), parameter :: intel_gpu = 3

src/elpa1/elpa1_template.F90

@@ -308,6 +308,12 @@ function elpa_solve_evp_&
        print *,"Problem getting option for AMD GPU. Aborting..."
        stop
      endif
+   else if (gpu_vendor() == INTEL_GPU) then
+     call obj%get("intel-gpu",gpu,error)
+     if (error .ne. ELPA_OK) then
+       print *,"Problem getting option for INTEL GPU. Aborting..."
+       stop
+     endif
    else
      gpu = 0
    endif
@@ -318,6 +324,7 @@ function elpa_solve_evp_&
      useGPU = .false.
    endif
 
+     print *,"after activating gpu..."
    call obj%get("is_skewsymmetric",skewsymmetric,error)
    if (error .ne. ELPA_OK) then
      print *,"Problem getting option for skewsymmetric. Aborting..."
@@ -351,6 +358,7 @@ function elpa_solve_evp_&
    do_useGPU = .false.
 
 
+     print *,"before check gpu..."
    if (useGPU) then
      call obj%timer%start("check_for_gpu")
 
@@ -379,6 +387,7 @@ function elpa_solve_evp_&
    endif
 
 
+     print *,"after check gpu..."
    do_useGPU_tridiag = do_useGPU
    do_useGPU_solve_tridi = do_useGPU
    do_useGPU_trans_ev = do_useGPU
@@ -447,7 +456,7 @@ function elpa_solve_evp_&
 #ifdef WITH_NVTX
      call nvtxRangePush("tridi")
 #endif
-
+     print *,"before tridiag..."
      call tridiag_&
      &MATH_DATATYPE&
      &_&

src/elpa1/elpa1_tridiag_template.F90

@@ -501,6 +501,7 @@ subroutine tridiag_&
         aux(1:2*n_stored_vecs) = conjg(uv_stored_cols(l_cols+1,1:2*n_stored_vecs))
 #endif
         if (useIntelGPU) then
+                print *,"intel phase aaaaaaaaaaaaaaaaaaaaaaaaaa"
           if (wantDebug) call obj%timer%start("mkl_offload")
 #if REALCASE == 1
           aux(1:2*n_stored_vecs) = uv_stored_cols(l_cols+1,1:2*n_stored_vecs)
@@ -675,7 +676,8 @@ subroutine tridiag_&
 !$omp shared(useGPU, isSkewsymmetric, gpuMemcpyDeviceToHost, successGPU, u_row, u_row_dev, &
 !$omp &      v_row, v_row_dev, v_col, v_col_dev, u_col, u_col_dev, a_dev, a_offset, &
 !$omp&       max_local_cols, max_local_rows, obj, wantDebug, l_rows_per_tile, l_cols_per_tile, &
-!$omp&       matrixRows, istep, tile_size, l_rows, l_cols, ur_p, uc_p, a_mat, useIntelGPU)
+!$omp&       matrixRows, istep, tile_size, l_rows, l_cols, ur_p, uc_p, a_mat, useIntelGPU, &
+!$omp&       matrixCols)
      my_thread = omp_get_thread_num()
           
      n_threads = omp_get_num_threads()

src/elpa2/compute_hh_trafo.F90

@@ -187,10 +187,10 @@ last_stripe_width, kernel)
   if (wantDebug) then
     if (useGPU .and. &
 #if REALCASE == 1
-      ( kernel .ne. ELPA_2STAGE_REAL_GPU)) then
+      ( kernel .ne. ELPA_2STAGE_REAL_NVIDIA_GPU)) then
 #endif
 #if COMPLEXCASE == 1
-      ( kernel .ne. ELPA_2STAGE_COMPLEX_GPU)) then
+      ( kernel .ne. ELPA_2STAGE_COMPLEX_NVIDIA_GPU)) then
 #endif
       print *,"ERROR: useGPU is set in conpute_hh_trafo but not GPU kernel!"
       stop
@@ -198,10 +198,10 @@ last_stripe_width, kernel)
   endif
 
 #if REALCASE == 1
-  if (kernel .eq. ELPA_2STAGE_REAL_GPU) then
+  if (kernel .eq. ELPA_2STAGE_REAL_NVIDIA_GPU) then
 #endif
 #if COMPLEXCASE == 1
-  if (kernel .eq. ELPA_2STAGE_COMPLEX_GPU) then
+  if (kernel .eq. ELPA_2STAGE_COMPLEX_NVIDIA_GPU) then
 #endif
     ! ncols - indicates the number of HH reflectors to apply; at least 1 must be available
     if (ncols < 1) then
@@ -263,11 +263,11 @@ last_stripe_width, kernel)
 
 #if REALCASE == 1
 ! GPU kernel real
-  if (kernel .eq. ELPA_2STAGE_REAL_GPU) then
+  if (kernel .eq. ELPA_2STAGE_REAL_NVIDIA_GPU) then
 #endif
 #if COMPLEXCASE == 1
 ! GPU kernel complex
-  if (kernel .eq. ELPA_2STAGE_COMPLEX_GPU) then
+  if (kernel .eq. ELPA_2STAGE_COMPLEX_NVIDIA_GPU) then
 #endif
     if (wantDebug) then
       call obj%timer%start("compute_hh_trafo: GPU")

src/elpa2/elpa2_template.F90

@@ -209,7 +209,7 @@
 #undef GPU_KERNEL
 #undef GENERIC_KERNEL
 #undef KERNEL_STRING
-#define GPU_KERNEL ELPA_2STAGE_REAL_GPU
+#define GPU_KERNEL ELPA_2STAGE_REAL_NVIDIA_GPU
 #define GENERIC_KERNEL ELPA_2STAGE_REAL_GENERIC
 #define KERNEL_STRING "real_kernel"
 #endif
@@ -217,7 +217,7 @@
 #undef GPU_KERNEL
 #undef GENERIC_KERNEL
 #undef KERNEL_STRING
-#define GPU_KERNEL ELPA_2STAGE_COMPLEX_GPU
+#define GPU_KERNEL ELPA_2STAGE_COMPLEX_NVIDIA_GPU
 #define GENERIC_KERNEL ELPA_2STAGE_COMPLEX_GENERIC
 #define KERNEL_STRING "complex_kernel"
 #endif
@@ -379,6 +379,12 @@
         print *,"Problem getting option for AMD GPU. Aborting..."
         stop
       endif
+    else if (gpu_vendor() == INTEL_GPU) then
+      call obj%get("intel-gpu",gpu,error)
+      if (error .ne. ELPA_OK) then
+        print *,"Problem getting option for INTEL GPU. Aborting..."
+        stop
+      endif
     else
       gpu = 0
     endif

src/elpa2/elpa2_trans_ev_band_to_full_template.F90

@@ -370,7 +370,7 @@ subroutine trans_ev_band_to_full_&
 
       if (i > 1) then
         if (useIntelGPU) then
-          call obj%timer%start("mkl_offload")
+          !call obj%timer%start("mkl_offload")
 #if 0
           call PRECISION_GEMM(BLAS_TRANS_OR_CONJ, 'N', &
                               int(t_rows,kind=BLAS_KIND), int(t_cols,kind=BLAS_KIND), int(l_rows,kind=BLAS_KIND), ONE, hvm, &
@@ -383,7 +383,7 @@ subroutine trans_ev_band_to_full_&
                               int(max_local_rows,kind=BLAS_KIND), hvm(:,(i-1)*nbw+1:), &
                               int(max_local_rows,kind=BLAS_KIND), ZERO, t_tmp, int(cwy_blocking, kind=BLAS_KIND))
 #endif
-          call obj%timer%stop("mkl_offload")
+          !call obj%timer%stop("mkl_offload")
 
         else
           call obj%timer%start("blas")
@@ -402,7 +402,7 @@ subroutine trans_ev_band_to_full_&
         call obj%timer%stop("mpi_communication")
 
         if (useIntelGPU) then
-          call obj%timer%start("mkl_offload")
+          !call obj%timer%start("mkl_offload")
 #if 0
           call PRECISION_TRMM('L', 'U', 'N', 'N', int(t_rows,kind=BLAS_KIND), int(t_cols,kind=BLAS_KIND), ONE, tmat_complete, &
                               int(cwy_blocking,kind=BLAS_KIND), t_tmp2, int(cwy_blocking,kind=BLAS_KIND))
@@ -418,7 +418,7 @@ subroutine trans_ev_band_to_full_&
                               tmat_complete(t_rows+1,t_rows+1), &
                               int(cwy_blocking,kind=BLAS_KIND), t_tmp2, int(cwy_blocking,kind=BLAS_KIND))
 #endif
-          call obj%timer%stop("mkl_offload")
+          !call obj%timer%stop("mkl_offload")
         else
           call obj%timer%start("blas")
           call PRECISION_TRMM('L', 'U', 'N', 'N', int(t_rows,kind=BLAS_KIND), int(t_cols,kind=BLAS_KIND), ONE, tmat_complete, &
@@ -432,7 +432,7 @@ subroutine trans_ev_band_to_full_&
 
 #else /* WITH_MPI */
         if (useIntelGPU) then
-          call obj%timer%start("mkl_offload")
+          !call obj%timer%start("mkl_offload")
 #if 0
           call PRECISION_TRMM('L', 'U', 'N', 'N', int(t_rows,kind=BLAS_KIND), int(t_cols,kind=BLAS_KIND), ONE, tmat_complete, &
                               int(cwy_blocking,kind=BLAS_KIND), t_tmp, int(cwy_blocking,kind=BLAS_KIND))
@@ -448,7 +448,7 @@ subroutine trans_ev_band_to_full_&
                               tmat_complete(t_rows+1,t_rows+1), &
                               int(cwy_blocking,kind=BLAS_KIND), t_tmp, int(cwy_blocking,kind=BLAS_KIND))
 #endif
-          call obj%timer%stop("mkl_offload")
+          !call obj%timer%stop("mkl_offload")