[CP2K:6056] Re: A compile problem of cp2k with plumed

[Ralph Koitz]

Dear Bin,

Currently there is no interface for cp2k with PLUMED 2.0. There have been
some ideas to provide this functionality, but at the moment you can't
compile PLUMED 2.0 with cp2k.
As for the 1.3 version, compiling should work according to the instructions
on the cp2k wiki [1].

Best,
Ralph

[1] http://cp2k.org/howto:install_with_plumed


On Wed, Feb 4, 2015 at 7:44 PM, Bin Gu <gub... at gmail.com> wrote:

> Dear Matt:
>
> Thanks for response.
>
> It has been found that this problem was just the result of compiling time
> exceeded time limitation (by finding some -D)  of Intel fortran setting.
>
> We are trying to understanding the compile example of cp2k and plumed 1.3.
> and, then,  compile the cp2k(2.5) with plumed 2.0.
> To this end, it seems there are some interface problems.
>
> Best regards,
>
> Bin Gu
>
>
> Hi,
>>
>> what version of cp2k, and which compiler? I think some older compilers
>> had problems with ewalds_multipole.
>>
>> Does cp2k compile without plumed?
>>
>> Matt
>>
>> On Friday, January 30, 2015 at 6:48:14 PM UTC, Bin Gu wrote:
>>>
>>> Hi, everyone:
>>>
>>> When I try to compile cp2k with plumed.  At the last step, I meet a
>>> problem as:
>>>
>>> catastrophic error: **Internal compiler error: CPU time limit exceeded
>>> signal raised** Please report this error along with the circumstances in
>>> which it occurred in a Software Problem Report.  Note: File and line given
>>> may not be explicit cause of this error.
>>> compilation aborted for ewalds_multipole_debug.f90 (code 1)
>>> make[1]: *** [ewalds_multipole_debug.o] Error 1
>>> make[1]: Leaving directory `/s/bingu/cp2k-plumed/cp2k/obj/lobster/popt'
>>> make: *** [build] Error 2
>>>
>>>
>>> Does anyone have meet the similar problem ? Many thanks for any clue.
>>>
>>> Regards,
>>>
>>> Bin Gu
>>>
>>  --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150205/d165c0d9/attachment.htm>