installation help for v3.9

[judevishnu]

Hi,
I am trying to install hoomd 3.9 in the Mogon cluster. I am having trouble installation where I get the following error:

CMake Error at /apps/easybuild/core/software/CMake/3.24.3-GCCcore-12.2.0/share/cmake-3.24/Modules/CMakeDetermineCUDACompiler.cmake:277 (message):
CMAKE_CUDA_ARCHITECTURES must be non-empty if set.
Call Stack (most recent call first):
CMake/hoomd/HOOMDHIPSetup.cmake:14 (ENABLE_LANGUAGE)
CMakeLists.txt:110 (include)

Where and how should I specify this? I am following the below step for installing version 3.9.

set -e
python3 -m venv vhoomdmine --system-site-packages
. vhoomdmine/bin/activate

git clone --recursive --branch v3.9.0 https://github.com/glotzerlab/hoomd-blue.git
python3 /home/jvishnu/hoomd-blue/install-prereq-headers.py

cd /home/jvishnu/hoomd-blue/

mkdir build

cd build/

cmake .. -DCMAKE_C_FLAGS=-march=native -DENABLE_GPU=ON -DENABLE_MPI=ON -DENABLE_CUDA=ON -DENABLE_MPI_CUDA=ON -DBUILD_DEPRECATED=ON -DBUILD_METAL=OFF -DBUILD_TESTING=ON -DCOPY_HEADERS=ON -DCMAKE_INSTALL_PREFIX=/home/jvishnu/vhoomdmine/lib/python3.9/site-packages

make -j16 install

best,
Jude

[joaander]

You should build the latest version, 4.4.1. It includes new features and fixes many critial bugs that are present in 3.9.0.

Your cmake command line sets many variables that are not used by the code. CMake should warn you about these. Find a list of all the options in the documentation. When you use the documented option to enable GPU compilation, HOOMD-blue's CMake code will set CMAKE_CUDA_ARCHITECTURES.

[judevishnu]

Thanks upgrading to 4.4.1 solved some issues with unit-test which I had with 3.9.
Best,
Jude