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

Abhi abhi.... at gmail.com
Thu Feb 5 10:18:09 UTC 2015

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 <javascript:>> 
> 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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