[CP2K-user] [CP2K:19684] The QM/MM method does not seem to work with pure water droplets
yeguang fang
bnuyeguangfang at gmail.com
Sat Dec 30 10:02:33 UTC 2023
Dear CP2K developers,
I have been attempting to run a pure water box using the QM/MM method in
CP2K. However, I have encountered a peculiar issue where the job terminates
without any error messages. The log file only prints some CP2K installation
and version information, and then abruptly stops.
I have previously tried QM/MM simulations with more complex systems in CP2K
and never encountered such a situation. The input seems to be correct, and
I have also tried different installation versions, all with the same
result. Could you please provide insights into what might be causing this
issue?
Thank you.
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