Add QE PW test suite

[giacrossi]

Motivation

Add Quantum Espresso PW test suite run script to test this app with the nightly compiler.

Technical Details

Added run_qe.sh script to bin/ and updated manifest/test_24.0.xml

Test Plan

I tested the script on r11, launching it with the command: AOMP=/mnt/COT/multiarch-2026-07-28 ROCM_PATH=/mnt/COT/multiarch-2026-07-28 ./run_qe.sh

Test Result

The code has been succesfully cloned, build and test suite has been executed.

[Copilot]

Pull request overview

Adds a Quantum ESPRESSO (PWscf) test-suite runner to the AOMP test harness so QE PW can be cloned via the test manifest and exercised with the nightly compiler toolchain.

Changes:

• Extended manifests/test_24.0.xml with a new qeomp remote and a QE OMP-offload fork project entry.
• Added bin/run_qe.sh to configure/build QE PW with AOMP + ROCm and run the PW test-suite under MPI with per-rank GPU pinning.

Reviewed changes

Copilot reviewed 1 out of 2 changed files in this pull request and generated no comments.

File	Description
manifests/test_24.0.xml	Adds the QE fork remote/project so clone_test.sh can fetch the sources into the test workspace.
bin/run_qe.sh	New end-to-end build + PW test-suite runner, including generated GPU affinity launcher and OpenMPI binding setup.

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[dpalermo]

When I run the script I see QE build, but I don't see the tests run:
run on r11:

AOMP=/COD/LATEST/aomp/llvm ROCM_PATH=/COD/LATEST/aomp AOMP_SUPP=/COD/LATEST/aomp/local ./run_qe.sh

If I then run with rerun, the tests are run, but are all failing:

AOMP=/COD/LATEST/aomp/llvm ROCM_PATH=/COD/LATEST/aomp AOMP_SUPP=/COD/LATEST/aomp/local ./run_qe.sh rerun

[dpalermo]

change to:
AOMP=${AOMP:-$HOME/rocm/aomp/llvm}

[dpalermo]

change to:
ROCM_PATH=${ROCM_PATH:-$(realpath -m $(realpath -m $AOMP)/../..)}

[giacrossi]

@dpalermo could you please share some log files? You can find both .out and .err inside each test folder contained in the test-suite from the QE root directory.

What about the rerun issue? Any log file from the first failing (AOMP=/COD/LATEST/aomp/llvm ROCM_PATH=/COD/LATEST/aomp AOMP_SUPP=/COD/LATEST/aomp/local ./run_qe.sh) command?

[dpalermo]

@dpalermo could you please share some log files? You can find both .out and .err inside each test folder contained in the test-suite from the QE root directory.

What about the rerun issue? Any log file from the first failing (AOMP=/COD/LATEST/aomp/llvm ROCM_PATH=/COD/LATEST/aomp AOMP_SUPP=/COD/LATEST/aomp/local ./run_qe.sh) command?

I put copies of the log files here (captured stdout/stderr from running run_qe.sh):

[r11 ~/git/aomp24.0/aomp/bin]$ ll ~dpalermo/4Giacomo/
total 144
96 -rw-r--r-- 1 dpalermo dpalermo 96579 Aug 5 19:35 out.run_qe
48 -rw-r--r-- 1 dpalermo dpalermo 45392 Aug 5 19:37 out.run_qe_rerun

I also see many *.out files on r11 in ~dpalermo/git/aomp-test/q-e-omp that seem to show the tests actually ran. I won't rerun for now if you want to take a look at what is currently there.

[dpalermo]

Met with Giacomo and am able to run now (I was missing rocblas with the build I was trying to run). Previous review comments are just the defaults, can be fixed later.