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--- cluster:175 [2018/09/23 12:23]
hmeij07 [Gromacs]
+++ cluster:175 [2018/09/25 12:39]
hmeij07 [Lammps]
@@ Line 69: / Line 69: @@
 </code>
+== Lammps (PMMA) ==
+Material called PMMA (https://en.wikipedia.org/wiki/Poly(methyl_methacrylate). The PMMA simulations require the calculation of molecular bonds, which is not implemented in GPU hence more CPU cores are required than the Coillod example.
+a) 1GPU with X CPUs
+#cpus   ns/day
+           89.6
+           61.6
+           34.3
+b) 4 GPUs with 4 CPUs
+ns/day
+----------
+compare these results to
+K20 GPU + 4 CPUs  37 ns/day
+K20 GPU + 6 CPUs  47 ns/day
+GTX GPU + 4 CPUs  73 ns/day
+GTX GPU + 6 CPUs  90 ns/day
 ==== Gromacs ====

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