Profile VMC

The profiling script builds VMC with RelWithDebInfo: optimized code plus debug information suitable for an external profiler. It does not start a profiler.

TODO — UWHPC profiling tools

Missing from the repository: supported UWHPC profiler names and modules, permissions for hardware performance counters, scheduler requirements, recommended profiler launch commands, and guidance for collecting and exporting profiles. Do not invent perf, Nsight, VTune, or other site commands here.

Build the CPU profiling executable

From the repository root:

./scripts/profile.sh

The command was run in the documentation workspace. Its complete output was:

-- The CXX compiler identification is GNU 13.3.0
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- OpenMP found (CXX 4.5); using it for '#pragma omp simd'.
-- Configuring done (1.9s)
-- Generating done (0.0s)
-- Build files have been written to: /home/member/docs/Variational-Monte-Carlo/build-prof
[  5%] Building CXX object CMakeFiles/vmc_lib.dir/src/blocking_analysis/blocking_analysis.cpp.o
...
[ 94%] Building CXX object CMakeFiles/vmc.dir/src/main.cpp.o
[100%] Linking CXX executable vmc
[100%] Built target vmc
Profiler build ready: ./build-prof/vmc

The resulting executable was inspected with:

file build-prof/vmc

Observed output:

build-prof/vmc: ELF 64-bit LSB pie executable, x86-64, version 1 (GNU/Linux), dynamically linked, interpreter /lib64/ld-linux-x86-64.so.2, BuildID[sha1]=19219fd9c712e53b3929c3b84882075462bf1bcf, for GNU/Linux 3.2.0, with debug_info, not stripped

The configured cache values were inspected with:

cmake -LA -N build-prof | rg '^(CMAKE_BUILD_TYPE|CMAKE_CXX_COMPILER:|CMAKE_CXX_FLAGS_RELWITHDEBINFO|FP_64|VMC_ENABLE_CUDA|VMC_FAST_MATH)'

Observed output:

CMAKE_BUILD_TYPE:STRING=RelWithDebInfo
CMAKE_CXX_COMPILER:FILEPATH=/usr/bin/c++
CMAKE_CXX_FLAGS_RELWITHDEBINFO:STRING=-O2 -g -DNDEBUG
FP_64:BOOL=ON
VMC_ENABLE_CUDA:BOOL=OFF
VMC_FAST_MATH:BOOL=OFF

Project-specific compiler options additionally select -O3, native CPU instructions, and frame pointers for RelWithDebInfo; see CMakeLists.txt.

Build another profiling variant

The script accepts a custom build directory and the build feature flags:

./scripts/profile.sh my-profile-build
./scripts/profile.sh --fp32
./scripts/profile.sh --vmc-fast-math
./scripts/profile.sh --cuda

CPU builds default to build-prof/vmc; CUDA builds default to build-prof-cuda/vmc. Only the default CPU command was verified for this page.

TODO — verified GPU profile build

Missing: a successful UWHPC ./scripts/profile.sh --cuda transcript, CUDA toolchain details, GPU model, and the site-approved GPU profiler workflow.

Choose a profiling workload

The profiler executable reads config.cfg from its working directory exactly like the Release executable. Keep the configuration and random seed with the profile so another person can reproduce the workload.

TODO — representative profiling configuration

Missing: an approved small CPU configuration, an approved GPU configuration, expected runtime and memory use, and guidance on whether output should be disabled or retained during profiling.

Run the profiler

TODO — profiler command

Insert the real UWHPC allocation command, module load command, profiler command, output location, and report-viewing procedure. The repository only produces build-prof/vmc; it does not choose or invoke a profiler.

Source of truth

The profiling build is defined by scripts/profile.sh and the RelWithDebInfo options in CMakeLists.txt.