[CP2K:6058] Re: A compile problem of cp2k with plumed

Ralph Koitz ralph... at gmail.com
Thu Feb 5 11:34:12 CET 2015


Dear Abhi,

Can you provide your input file?
After compiling, did you try running the regtests, to see if the build is
alright? Do you get this error also without any plumed-instructions in your
input file? How about with a non-plumed build?

Best,
Ralph

On Thu, Feb 5, 2015 at 11:18 AM, Abhi <abhi.... at gmail.com> wrote:

> Dear Ralph,
>  I am able to successfully complied cp2k with plumed using the instruction
> provided in http://cp2k.org/howto:install_with_plumed. However, when I am
> running the cp2k run I am getting the following segmentation fault error.
>
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> cp2k.popt          00000000029AF569  Unknown               Unknown  Unknown
> cp2k.popt          00000000029ADE3E  Unknown               Unknown  Unknown
> cp2k.popt          0000000002958842  Unknown               Unknown  Unknown
> cp2k.popt          0000000002909993  Unknown               Unknown  Unknown
> cp2k.popt          000000000290EA7B  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D1FA0F710  Unknown               Unknown  Unknown
> cp2k.popt          000000000058CDD9  Unknown               Unknown  Unknown
> cp2k.popt          0000000000589A5F  Unknown               Unknown  Unknown
> cp2k.popt          0000000000493D3B  Unknown               Unknown  Unknown
> cp2k.popt          0000000000491130  Unknown               Unknown  Unknown
> cp2k.popt          00000000004136AD  Unknown               Unknown  Unknown
> cp2k.popt          0000000002964768  Unknown               Unknown  Unknown
> libc.so.6          0000003D1F21ED5D  Unknown               Unknown  Unknown
> cp2k.popt          0000000000412829  Unknown               Unknown  Unknown
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> ....
> ...
>
> Any suggestion how can i solve this problem?
>
> Thanks a lot in advance
>
> Best, abhi
>
>
>
> On Thursday, 5 February 2015 11:02:05 UTC+1, Ralph wrote:
>>
>> 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
>>>>>
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