[CP2K:3140] error of MIN_NT_HILLS

Teodoro Laino teodor... at gmail.com
Fri Mar 11 07:57:53 CET 2011


Dear Ross,

that's a very urgent and serious issue, which deserves some explanation:
I'm heavily working on a self-updating feature of cp2k, like the "Update Software" in OS/X or the aptget (for truly Debian lovers), but still this is though to get it working on all architecture. Many sysadmindevils have the tendency to limit the network of the machines where CP2K is running :( ..
The other thing, which may potentially solve your issue, on which I'm personally devoting 33.33% of my human time,  is a new module that understands the version you are using on a certain XYZ supercomputer and independently of the browser and OS (on your laptop or desktop) shows you the corresponding version of the input reference manual when you browse the CP2K offiicial web page. This is even thougher, you need to open quite few doors between machines and as you can imagine not all sysadmindevils are happy about that.
It's though, but nonetheless I believe that if we receive e-mails like these ones, the effort of having these things in place is worth the time invested in coding these features.

But here is the good news: you do not need to wait the development timings.. There is a very smart and easy way to bypass and fix your problem - follow all the steps in the right order:
1) Please, generate the corresponding manual for you version by running CP2K with the --html-manual (or if you prefer --xml) and browse it instead of looking to non-corresponding manuals on-line. Is the MIN_NT_HILLS keyword present in your personally generated input reference? If it is present, that we have caught a real and problematic bug. If it is not present, please, move to point 2.

2) Download and recompile CP2K: there is a tricky secret here - be sure you first make a distclean in the makefile directory - the risk of potentially using an old executable is always almost of probability 1.

hope this helps.
Teo

On Mar 11, 2011, at 7:21 AM, Ross, Sun wrote:

> Hi everyone,
> I used CP2K_INPUT / MOTION / FREE_ENERGY / METADYN / MIN_NT_HILLS  in
> my calculation. But the code gives the following error:
> 
> *** 22:14:02 ERRORL2 in input_parsing:section_vals_parse err=-300
> found  ***
> *** an unknown keyword MIN_NT_HILLS in section
> METADYN                    ***
> *
> Why the keyword MIN_NT_HILLS is unknown?  Did CP2K dismiss this
> keyword?
> 
> Urgent!
> 
> Best Regards,
> Ross
> 
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