Running and Verifying MiniDFT

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Run the following command to go to the test case directory:

   cd /path/to/MINIDFT/MiniDFT-MiniDFT-1.1.1/benchmark

3. Run the following command to configure the threads:

   export OMP_NUM_THREADS=1

4. Run the following command to perform the test:

   mpirun -np 96 --allow-run-as-root -mca btl ^openib ../src/mini_dft -in small.in -nbgrp 4 > small.log

   In the small.log file, check the value of Benchmark_Time (in seconds). A smaller value indicates higher performance.

   Figure 1 shows the command output.

   Figure 1 Result example