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--- cluster:181 [2019/08/07 14:30]
hmeij07 [2019 GPU Models]
+++ cluster:181 [2019/08/08 13:25]
hmeij07 [2019 GPU Models]
@@ Line 35: / Line 35: @@
     * [[https://docs.nvidia.com/deeplearning/sdk/mixed-precision-training/index.html#framework|Training Guide for Mixed Precision]]
-From Lammps developer: "Computing forces in all single precision is a significant approximation and mostly works ok in homogeneous system, where there is a lot of error cancellation.
+From Lammps developer: "Computing forces in all single precision is a significant approximation and mostly works ok in homogeneous system, where there is a lot of error cancellation. Using half precision in any form for force computations is not advisable."
-Using half precision in any form for force computations is not advisable."
+From Gromacs web site: "GROMACS simulations are normally run in “mixed” floating-point precision, which is suited for the use of single precision in FFTW. The default FFTW package is normally in double precision."
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