System fault with NPT &NVT
王胜杰
theancientg... at gmail.com
Mon Aug 17 03:07:31 UTC 2015
Dear cp2k experts and developers,
I worked on MD simulation with ionic compound,and found an example
input in /test/Fist/restest-pol, which carries a simulation of flibe. The
thing is ,while I modified the ensemble from NVE to NPT_I,a segmentation
fault occurred.Then I checked the other input file with NPT or NVT
ensemble,all happened with math problem--"integer divided by zero".I
thought the heat bath is of the problem,or the compile work is not
complete.If so ,how to slove the compile problem?
Thanks in advance.
Shengjie Wang
Form a burning Changsha
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