Line data    Source code

       1              : /*----------------------------------------------------------------------------*/
       2              : /*  CP2K: A general program to perform molecular dynamics simulations         */
       3              : /*  Copyright 2000-2026 CP2K developers group <https://cp2k.org>              */
       4              : /*                                                                            */
       5              : /*  SPDX-License-Identifier: BSD-3-Clause                                     */
       6              : /*----------------------------------------------------------------------------*/
       7              : #include "../mpiwrap/cp_mpi.h"
       8              : #include "../offload/offload_library.h"
       9              : #include "../offload/offload_mempool.h"
      10              : #include "common/grid_library.h"
      11              : #include "grid_replay.h"
      12              : 
      13              : #include <stdio.h>
      14              : #include <stdlib.h>
      15              : #include <string.h>
      16              : 
      17              : /*******************************************************************************
      18              :  * \brief Wrapper for printf, passed to grid_library_print_stats.
      19              :  * \author Ole Schuett
      20              :  ******************************************************************************/
      21           62 : static void print_func(const char *msg, int msglen, int output_unit) {
      22           62 :   (void)msglen;           // mark used
      23           62 :   if (output_unit == 0) { // i.e. my_rank == 0
      24           62 :     printf("%s", msg);
      25              :   }
      26           62 : }
      27              : 
      28              : /*******************************************************************************
      29              :  * \brief Unit test for the grid code.
      30              :  * \author Ole Schuett
      31              :  ******************************************************************************/
      32           26 : static int run_test(const char cp2k_root_dir[], const char task_file[]) {
      33           26 :   if (strlen(cp2k_root_dir) > 512) {
      34            0 :     fprintf(stderr, "Error: cp2k_root_dir too long.\n");
      35            0 :     abort();
      36              :   }
      37              : 
      38           26 :   char filename[1024];
      39           26 :   strcpy(filename, cp2k_root_dir);
      40           26 :   if (filename[strlen(filename) - 1] != '/') {
      41           26 :     strcat(filename, "/");
      42              :   }
      43              : 
      44           26 :   strcat(filename, "src/grid/sample_tasks/");
      45           26 :   strcat(filename, task_file);
      46              : 
      47           26 :   const double tolerance = 1e-12;
      48           26 :   int errors = 0;
      49           78 :   for (int icol = 0; icol < 2; icol++) {
      50          156 :     for (int ibatch = 0; ibatch < 2; ibatch++) {
      51          104 :       const bool success =
      52          104 :           grid_replay(filename, 1, icol == 1, ibatch == 1, 1, tolerance);
      53          104 :       if (!success) {
      54            0 :         printf("Max diff too high, test failed.\n\n");
      55            0 :         errors++;
      56              :       }
      57              :     }
      58              :   }
      59           26 :   return errors;
      60              : }
      61              : 
      62            2 : int main(int argc, char *argv[]) {
      63            2 :   cp_mpi_init(&argc, &argv);
      64              : 
      65            2 :   if (argc != 2) {
      66            0 :     printf("Usage: grid_unittest.x <cp2k-root-dir>\n");
      67            0 :     cp_mpi_finalize();
      68            0 :     return 1;
      69              :   }
      70              : 
      71            2 :   offload_set_chosen_device(0);
      72            2 :   grid_library_init();
      73              : 
      74            2 :   int errors = 0;
      75            2 :   errors += run_test(argv[1], "ortho_density_l0000.task");
      76            2 :   errors += run_test(argv[1], "ortho_density_l0122.task");
      77            2 :   errors += run_test(argv[1], "ortho_density_l2200.task");
      78            2 :   errors += run_test(argv[1], "ortho_density_l3300.task");
      79            2 :   errors += run_test(argv[1], "ortho_density_l3333.task");
      80            2 :   errors += run_test(argv[1], "ortho_density_l0505.task");
      81            2 :   errors += run_test(argv[1], "ortho_non_periodic.task");
      82            2 :   errors += run_test(argv[1], "ortho_tau.task");
      83            2 :   errors += run_test(argv[1], "general_density.task");
      84            2 :   errors += run_test(argv[1], "general_tau.task");
      85            2 :   errors += run_test(argv[1], "general_subpatch0.task");
      86            2 :   errors += run_test(argv[1], "general_subpatch16.task");
      87            2 :   errors += run_test(argv[1], "general_overflow.task");
      88              : 
      89            2 :   if (errors == 0) {
      90            2 :     grid_library_print_stats(0 /*fortran_comm*/, &print_func, 0 /*rank*/);
      91            2 :     offload_mempool_stats_print(0 /*fortran_comm*/, &print_func, 0 /*rank*/);
      92            2 :     grid_library_finalize();
      93            2 :     printf("\nAll tests have passed :-)\n");
      94              :   } else {
      95            0 :     grid_library_finalize();
      96            0 :     printf("\nFound %i errors :-(\n", errors);
      97              :   }
      98              : 
      99            2 :   cp_mpi_finalize();
     100              : 
     101            2 :   return errors;
     102              : }
     103              : 
     104              : // EOF