Running and Verification
Procedure
- Use PuTTY to log in to the server as the root user.
- Go to the test directory.
cd /path/to/CASE
- Download the test cases and use an SFTP tool to upload the test cases to the /path/to/CASE directory on the server.
wget https://github.com/QEF/benchmarks/archive/refs/tags/bench0.0.tar.gz
- Decompress the test case package and copy the required files to the /path/to/CASE directory.
tar xvf benchmarks-bench0.0.tar.gz cp benchmarks-master/AUSURF112/* ./
- Start the QE program.
mpirun --allow-run-as-root -np 2 -x OMP_NUM_THREADS=1 --mca btl ^openib pw.x -input ./ausurf.in 2>&1 | tee -a qe.log
-np indicates the total number of processes used in the test. The number 2 indicates that the test machine has two graphics cards.
-x OMP_NUM_THREADS=1 indicates that each process has one thread.
Check the value (in the unit of s) of WALL in the qe.log file. A higher value indicates lower performance. The following figure shows the output result.

Parent topic: QE 6.8 Porting Guide (CentOS 8.2)