unknow subsection ACID_HYDRONIUM_DISTANCE in metadynamics
terra... at gmail.com
terra... at gmail.com
Wed Jul 11 14:58:36 UTC 2018
Hi all,
Thanks you all for replying. I am so sorry, It was my fault, although i
compiled cp2k-6.1.popt on my desktop, but somehow, i was using
cp2k-2.4.0.popt that i found in one of the cp2k exercise folder, without
awareness. I do check the .xml from the two version, apparently,
ACID_HYDRONIUM*** were not implemented in cp2k-2.4.0. Now cp2k-6.1 works
happily with my input.
And also thanks Matthias for commenting on the usage of openmpi. (yes, this
is the first time i use openmpi.)
Jiasen Guo
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