-on Windows 7 Enterprise we have lmp_mpi dated to 15 May 15, on
Linux Debian we have lmp_mpi dated to the latest version (11 Aug
- calculating thermal conductivity of pure water with TIP5P rigid
- on Windows we get 0.63 W/mK with a std of 0.02-0.03, on Linux we
get 0.85 W/mK with a std of 0.02-0.03 (experimental value is 0.60
- sampling time is 20 ps and yes we can rule out them.
with another water models (TIP3P,etc.) which are not rigid, I get
almost same results from both machines, so I've started to believe
that there may be something different about the rigid algorithm of
GK in two systems, but this is just my guess after checking
On 14-09-2017 14:35, Giacomo Fiorin
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