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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> |
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autodock | ||
autodock_vina | ||
avogadro2 | ||
bodr | ||
cara-bin | ||
chemex | ||
chemical-mime-data | ||
chemtool | ||
clashlist | ||
cluster | ||
dssp | ||
easychem | ||
elem | ||
gelemental | ||
gnome-chemistry-utils | ||
gperiodic | ||
gromacs | ||
GromacsWrapper | ||
ksdssp | ||
MDAnalysis | ||
mdtraj | ||
moldy | ||
molequeue | ||
molmol | ||
molsketch | ||
mpqc | ||
msms-bin | ||
mustang | ||
openbabel | ||
ParmEd | ||
pdbcat | ||
pdbcns | ||
pdbmat | ||
probe | ||
propka | ||
psi | ||
pymol | ||
raster3d | ||
suitename | ||
surf | ||
theseus | ||
threeV | ||
tinker | ||
tm-align | ||
vmd | ||
votca | ||
wxmacmolplt | ||
xds-bin | ||
metadata.xml |