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Initial changes to compile on AMD #1346

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merged 15 commits into from
Aug 5, 2022
Merged

Initial changes to compile on AMD #1346

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1380a9a
Initial changes to compile on AMD
jglaser Jun 13, 2022
32eabb3
compile HIP device code
jglaser Jun 16, 2022
c889bd5
fix compile errors w/HIP
jglaser Jun 16, 2022
9af7865
fix more compile errors
jglaser Jun 27, 2022
a3208db
use static_cast instead of Cstye conversion
jglaser Jun 27, 2022
554bc0d
remove currently obsolete comments
jglaser Jun 27, 2022
2988907
remove more unneeded code
jglaser Jun 27, 2022
c7334e6
re-enable compilation with nvcc
jglaser Jun 27, 2022
7b62cb6
Update hoomd/md/OPLSDihedralForceCompute.cc
jglaser Jul 19, 2022
5b2f580
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jul 19, 2022
ba33773
Suppress HIP not found errors on CUDA systems.
joaander Jul 21, 2022
99d4f53
Document minimum CMake requirement for HIP.
joaander Jul 21, 2022
6d8c6a4
Add HOOMD_GPU_PLATFORM CMake variable.
joaander Jul 21, 2022
9011491
Update hoomd/md/BondTablePotential.cc
jglaser Jul 29, 2022
b7697ac
Update CMake/hoomd/HOOMDHIPSetup.cmake
jglaser Jul 29, 2022
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7 changes: 7 additions & 0 deletions BUILDING.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -105,13 +105,19 @@ Install prerequisites
external dependency when building for AMD GPUs
- roctracer-dev
- Linux kernel >= 3.5.0
- CMake >= 3.21

For **HOOMD-blue** on AMD GPUs, the following limitations currently apply.

1. Certain kernels trigger an `unknown HSA error <https://github.com/ROCm-Developer-Tools/HIP/issues/1662>`_.
2. The ``mpcd`` component is disabled on AMD GPUs.
3. Multi-GPU execution via unified memory is not available.

.. note::

When ``ENABLE_GPU=on``, HOOMD-blue will default to CUDA. Set ``HHOOMD_GPU_PLATFORM=HIP`` to
choose HIP.

**For threaded parallelism on the CPU** (required when ``ENABLE_TBB=on``):

- Intel Threading Building Blocks >= 4.3
Expand Down Expand Up @@ -227,6 +233,7 @@ Other option changes take effect at any time:
- ``CMAKE_INSTALL_PREFIX`` - Directory to install **HOOMD-blue**. Defaults to the root path of the
found Python executable.
- ``ENABLE_GPU`` - When enabled, compiled GPU accelerated computations (default: ``off``).
- ``HOOMD_GPU_PLATFORM`` - Choose either ``CUDA`` or ``HIP`` as a GPU backend (default: ``CUDA``).
- ``SINGLE_PRECISION`` - Controls precision (default: ``off``).

- When set to ``on``, all calculations are performed in single precision.
Expand Down
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