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4f420766f8
Intel integrated GPUs require:
-DGMX_GPU_NB_CLUSTER_SIZE=4
to be set, otherwise running a GPU job will result in GPU not found.
I added the video_cards_intel use flag, in order to check if we build gromacs
for intel integrated graphics. If this is the case GMX_GPU_NB_CLUSTER_SIZE=4
will be set instead of the default 8.
With this patch I get about 3x performance on an Intel Core Ultra 7 256 machine,
utilizing integrated graphics that would be otherwise not found.
Signed-off-by: Thomas Haschka <haschka@gmail.com>
Part-of: https://github.com/gentoo/gentoo/pull/42774
Closes: https://github.com/gentoo/gentoo/pull/42774
Signed-off-by: Sam James <sam@gentoo.org>
29 lines
1.5 KiB
XML
29 lines
1.5 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="person">
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<email>alexxy@gentoo.org</email>
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<name>Alexey Shvetsov</name>
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</maintainer>
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<maintainer type="project">
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<email>sci-chemistry@gentoo.org</email>
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<name>Gentoo Chemistry Project</name>
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</maintainer>
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<use>
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<flag name="build-manual">Build manual instead of downloading it</flag>
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<flag name="clang">Build gromacs with Clang instead of default compiler</flag>
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<flag name="clang-cuda">Use clang for cuda units compilation</flag>
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<flag name="cuda">Enable cuda non-bonded kernels</flag>
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<flag name="double-precision">More precise calculations at the expense of speed</flag>
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<flag name="gmxapi">Add support for gmxapi library</flag>
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<flag name="gmxapi-legacy">Enable installing lagacy headers</flag>
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<flag name="hwloc">Enable HWLoc lib support</flag>
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<flag name="nnpot">Allow to use <pkg>sci-ml/caffe2</pkg> for NN Potentials</flag>
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<flag name="opencl">Enable opencl non-bonded kernels</flag>
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<flag name="single-precision">Single precision version of gromacs (default)</flag>
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<flag name="tng">Enable new trajectory format - tng</flag>
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<flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
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<flag name="offensive">Enable gromacs partly offensive quotes</flag>
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<flag name="video_cards_intel">Modifies the non-bonded GPU cluster size to 4 in order to enable opencl on Intel integrated graphics</flag>
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</use>
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</pkgmetadata>
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