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--- cluster:182 [2019/08/13 08:39]
hmeij07 [Gromacs]
+++ cluster:182 [2019/08/13 08:41]
hmeij07 [Gromacs]
@@ Line 90: / Line 90: @@
 ==== Gromacs ====
-Gromacs was build on each of the nodes locally letting it select the optimal CPU (AVX, SSE) and GPU accelerators. The ''cmake'' flag -DGMX_BUILD_OWN_FFTW=ON yields a mixed precision compilation which is recommended. Then we ran multidir options 01-04 on single GPU, and 01-08 and 01-16 on all 4 GPUs when possible.
+Gromacs was build on each of the nodes locally letting it select the optimal CPU (AVX, SSE) and GPU accelerators. "GROMACS simulations are normally run in “mixed” floating-point precision, which is suited for the use of single precision in FFTW. " The ''cmake'' flag ''-DGMX_BUILD_OWN_FFTW=ON'' yields a mixed precision compilation which is recommended. Then we ran multidir options 01-04 on single GPU, and 01-08 and 01-16 on all 4 GPUs when possible.

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