pulled out intel mkl zgeev test
This commit is contained in:
Anton Ljungdahl
parent
c8da051f32
commit
fa2b4a8b7b
157
src/main.c
157
src/main.c
@ -21,7 +21,7 @@
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#include "base/base_inc.c"
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#include "os/os_inc.c"
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#include "os/os_entry_point.c"
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#include "test_mkl.c"
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//#include "test_mkl.c"
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#define grid_file_path_bin "D:\\dev\\eigsol_gpu\\out\\grid.bin"
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#define grid_file_path "D:\\dev\\eigsol_gpu\\out\\grid.dat"
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@ -58,6 +58,23 @@ struct BSplineCtx
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F64 *bsplines;
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};
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typedef struct Orbital Orbital;
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struct Orbital
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{
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U32 n;
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U32 l;
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U32 j;
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};
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typedef struct Atom Atom;
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struct Atom
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{
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U32 N;
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Orbital *orbitals;
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};
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//~ Globals
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global Grid g_grid = {0};
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global BSplineCtx g_bspline_ctx = {0};
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@ -112,19 +129,19 @@ write_string_list_to_file(Arena *arena, String8 path, String8List *list)
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}
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function void
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function void
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write_array_F64(String8 path_to_file, F64 *values, U32 array_size, char* fmt)
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{
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ArenaTemp scratch = scratch_get(0, 0);
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String8List list = {0};
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for(U32 i = 0; i < array_size; i++)
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{
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str8_list_pushf(scratch.arena, &list, fmt, values[i]);
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}
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write_string_list_to_file(scratch.arena, path_to_file, &list);
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ArenaTemp scratch = scratch_get(0, 0);
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String8List list = {0};
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for(U32 i = 0; i < array_size; i++)
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{
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str8_list_pushf(scratch.arena, &list, fmt, values[i]);
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}
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write_string_list_to_file(scratch.arena, path_to_file, &list);
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}
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function F64
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function F64
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bspline_recursion(F64 x, U32 k, U32 i)
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{
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F64 *t = g_bspline_ctx.knotpoints;
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@ -165,7 +182,7 @@ bspline_recursion(F64 x, U32 k, U32 i)
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}
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function F64
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function F64
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get_bspline_F64(F64 x_coord, U32 index)
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{
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U32 k = g_bspline_ctx.order;
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@ -173,7 +190,7 @@ get_bspline_F64(F64 x_coord, U32 index)
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return out;
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}
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function void
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function void
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set_up_grid(Arena *arena)
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{
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g_grid.start = 0.0;
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@ -192,7 +209,7 @@ set_up_grid(Arena *arena)
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}
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function void
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function void
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set_up_bspline_context(Arena* arena)
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{
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// Create knotpoint sequence.
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@ -225,7 +242,7 @@ set_up_bspline_context(Arena* arena)
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}
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function void
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function void
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write_bsplines_to_matrix_F64(Arena *arena)
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{
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@ -304,13 +321,8 @@ write_bsplines_to_matrix_F64(Arena *arena)
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}
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function
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void EntryPoint(void)
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function void bspline_things()
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{
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OS_InitReceipt os_receipt = OS_init();
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OS_InitGfxReceipt os_gfx_receipt = OS_gfx_init(os_receipt);
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Arena *arena = m_make_arena();
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//- Set up grid and write to file.
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@ -327,9 +339,101 @@ void EntryPoint(void)
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//- Then we generate the BSplines and save them off for reference and debugging.
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write_bsplines_to_matrix_F64(arena);
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//- Test MKL
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test_mkl_zgeev();
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test_mkl_dsyevd();
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}
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/* Auxiliary routine: printing a matrix */
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function void
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print_matrix_Z64( char* desc, int m, int n, Z64* a, int lda ) {
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ArenaTemp scratch = scratch_get(0,0);
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int i, j;
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String8 newline = str8_lit("\n");
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String8 header = str8_pushf(scratch.arena, "\n %s\n", desc );
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LOG(header.str);
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//printf("\n %s \n", desc);
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for( i = 0; i < m; i++ ) {
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for( j = 0; j < n; j++ ) {
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String8 outstr = str8_pushf(scratch.arena, " (%6.2f,%6.2f)", a[i+j*lda].re, a[i+j*lda].im );
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LOG(outstr.str);
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//printf(" (%6.2f,%6.2f)", a[i+j*lda].real, a[i+j*lda].imag );
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}
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LOG(newline.str);
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//printf("\n");
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}
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}
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function void EntryPoint(void)
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{
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OS_InitReceipt os_receipt = OS_init();
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OS_InitGfxReceipt os_gfx_receipt = OS_gfx_init(os_receipt);
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Arena *arena = m_make_arena();
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LOG("\n\n---- Calling Intel MKL zgeev test (Using Z64 instead of MKL_Complex16 etc) ---- \n\n");
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{
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U32 N = 4;
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S32 n = N, lda = N, ldvl = N, ldvr = N, info, lwork;
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Z64 wkopt;
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Z64 *work;
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F64 *rwork = PushArray(arena, F64, 2*N);
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Z64 *w = PushArray(arena, Z64, N);
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Z64 *vl = PushArray(arena, Z64, N*N);
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Z64 *vr = PushArray(arena, Z64, N*N);
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Z64 *a = PushArray(arena, Z64, N*N);
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a[0] = (Z64){-3.84, 2.25};
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a[1] = (Z64){-0.66, 0.83};
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a[2] = (Z64){-3.99, -4.73};
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a[3] = (Z64){ 7.74, 4.18};
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a[4] = (Z64){-8.94, -4.75};
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a[5] = (Z64){-4.40, -3.82};
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a[6] = (Z64){-5.88, -6.60};
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a[7] = (Z64){ 3.66, -7.53};
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a[8] = (Z64){ 8.95, -6.53};
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a[9] = (Z64){-3.50, -4.26};
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a[10] = (Z64){-3.36, -0.40};
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a[11] = (Z64){ 2.58, 3.60};
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a[12] = (Z64){-9.87, 4.82};
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a[13] = (Z64){-3.15, 7.36};
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a[14] = (Z64){-0.75, 5.23};
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a[15] = (Z64){ 4.59, 5.41};
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/* Executable statements */
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LOG( " ZGEEV Example Program Results\n" );
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/* Query and allocate the optimal workspace */
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lwork = -1;
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zgeev( "Vectors", "Vectors", &n, a, &lda, w, vl, &ldvl, vr, &ldvr,
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&wkopt, &lwork, rwork, &info );
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lwork = (S32)wkopt.re;
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work = (Z64*)malloc( lwork*sizeof(Z64) );
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/* Solve eigenproblem */
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zgeev( "Vectors", "Vectors", &n, a, &lda, w, vl, &ldvl, vr, &ldvr,
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work, &lwork, rwork, &info );
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/* Check for convergence */
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if( info > 0 ) {
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LOG( "The algorithm failed to compute eigenvalues.\n" );
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exit( 1 );
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}
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/* Print eigenvalues */
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print_matrix_Z64( "Eigenvalues", 1, n, w, 1 );
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/* Print left eigenvectors */
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print_matrix_Z64( "Left eigenvectors", n, n, vl, ldvl );
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/* Print right eigenvectors */
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print_matrix_Z64( "Right eigenvectors", n, n, vr, ldvr );
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/* Free workspace */
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free( (void*)work );
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//exit( 0 );
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} /* End of ZGEEV Example */
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LOG("\n\n---- Skipping CUDA part for now ---- \n\n");
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//cuda_entry_point();
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@ -341,4 +445,11 @@ void EntryPoint(void)
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}
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function void
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testing_MKL()
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{
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test_mkl_zgeev();
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test_mkl_dsyevd();
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}
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@ -70,23 +70,23 @@
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function void
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print_matrix_cmplx16( char* desc, int m, int n, MKL_Complex16* a, int lda );
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#ifndef TEST_MKL_N
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#define TEST_MKL_N 4
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#ifndef TEST_ZGEEV_N
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#define TEST_ZGEEV_N 4
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#endif
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/* Main program */
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static void
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test_mkl_zgeev(void) {
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/* Locals */
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int N = TEST_MKL_N;
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int N = TEST_ZGEEV_N;
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MKL_INT n = N, lda = N, ldvl = N, ldvr = N, info, lwork;
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MKL_Complex16 wkopt;
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MKL_Complex16* work;
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/* Local arrays */
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/* rwork dimension should be at least 2*n */
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double rwork[2*TEST_MKL_N];
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MKL_Complex16 w[TEST_MKL_N], vl[TEST_MKL_N*TEST_MKL_N], vr[TEST_MKL_N*TEST_MKL_N];
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MKL_Complex16 a[TEST_MKL_N*TEST_MKL_N] = {
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double rwork[2*TEST_ZGEEV_N];
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MKL_Complex16 w[TEST_ZGEEV_N], vl[TEST_ZGEEV_N*TEST_ZGEEV_N], vr[TEST_ZGEEV_N*TEST_ZGEEV_N];
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MKL_Complex16 a[TEST_ZGEEV_N*TEST_ZGEEV_N] = {
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{-3.84, 2.25}, {-0.66, 0.83}, {-3.99, -4.73}, { 7.74, 4.18},
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{-8.94, -4.75}, {-4.40, -3.82}, {-5.88, -6.60}, { 3.66, -7.53},
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{ 8.95, -6.53}, {-3.50, -4.26}, {-3.36, -0.40}, { 2.58, 3.60},
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@ -202,21 +202,21 @@ print_matrix_cmplx16( char* desc, int m, int n, MKL_Complex16* a, int lda ) {
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extern void print_matrix( char* desc, int m, int n, double* a, int lda );
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/* Parameters */
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#define N 5
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#define LDA N
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#define TEST_DSYEVD_N 5
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#define LDA TEST_DSYEVD_N
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/* Main program */
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function void
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test_mkl_dsyevd(void) {
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/* Locals */
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MKL_INT n = N, lda = LDA, info, lwork, liwork;
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MKL_INT n = TEST_DSYEVD_N, lda = LDA, info, lwork, liwork;
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MKL_INT iwkopt;
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MKL_INT* iwork;
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double wkopt;
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double* work;
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/* Local arrays */
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double w[N];
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double a[LDA*N] = {
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double w[TEST_DSYEVD_N];
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double a[LDA*TEST_DSYEVD_N] = {
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6.39, 0.00, 0.00, 0.00, 0.00,
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0.13, 8.37, 0.00, 0.00, 0.00,
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-8.23, -4.46, -9.58, 0.00, 0.00,
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BIN
timeBuild.ctm
BIN
timeBuild.ctm
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