System fault with NPT &NVT

王胜杰 theancientg... at
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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