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Require padded atom data for PME GPU
[alexxy/gromacs.git]
/
src
/
gromacs
/
ewald
/
CMakeLists.txt
diff --git
a/src/gromacs/ewald/CMakeLists.txt
b/src/gromacs/ewald/CMakeLists.txt
index 7583e1db50edab86143cede8f1a6b9aabf3570d3..a1d3bcf2f7cb7262a1917f74911b1ae808543be4 100644
(file)
--- a/
src/gromacs/ewald/CMakeLists.txt
+++ b/
src/gromacs/ewald/CMakeLists.txt
@@
-124,7
+124,6
@@
foreach(VENDOR AMD NVIDIA INTEL)
-Dorder=4
-DthreadsPerAtom=16
-Dc_pmeMaxUnitcellShift=2
- -Dc_usePadding=true
-Dc_skipNeutralAtoms=false
-Dc_virialAndEnergyCount=7
-Dc_spreadWorkGroupSize=${SPREAD_WG_SIZE}