[CP2K:7672] Re: CP2K compiling on CRAYXC40 - cuda version using gnu compiler

Alfio Lazzaro alfio.... at gmail.com
Thu Apr 14 11:23:14 CEST 2016


Interesting, there must something before the error you are mentioning. Have 
you make "clean" of CP2K before recompiling it with the flag?

Alfio

On Thursday, April 14, 2016 at 9:10:28 AM UTC+2, Aman Jindal wrote:
>
> Hello Alfio,
> Thanks your valuable response. I tried compiling cp2k after removing the 
> flag "-mavx" , but I am getting the following error:
> collect2: error: ld returned 1 exit status
>
> Plumed was compiled using the following commands:
> 1) ./configure CXX=CC CC=cc F77=ftn F90=ftn  --prefix=/path/for/exe 
> --enable-mpi
> 2) make
> 3) make install
>
> Aman
>
>
> On Wed, Apr 13, 2016 at 4:52 PM, Alfio Lazzaro <alfi... at gmail.com 
> <javascript:>> wrote:
>
>> Dear Aman,
>> in your arch file I see that you are using "-mavx" flag. Could you remove 
>> it and try to recompile? Your error message says that there is something 
>> wrong with the flags used for the compilation (I assume the vector 
>> instructions), and from your last email it is seems that there is something 
>> wrong with PLUMED. Do you know how it was compiled?
>>
>> Alfio
>>
>>
>> Il giorno mercoledì 13 aprile 2016 11:55:02 UTC+2, Aman Jindal ha scritto:
>>>
>>> Hello Samuel Andermatt,
>>> I found that this error is coming only if I am compiling CP2K(version 
>>> 3.0)  with plumed (version 2.2.1). Because I compiled cp2k with and without 
>>> plumed today using CRAY-XC30-gfortran.psmp (this time without cuda) arch 
>>> file. Now without plumed, it is working fine, but with plumed it is giving 
>>> the same error (mentioned earlier).
>>>
>>> Do you have any idea how can I resolve this issue..
>>>
>>> Thank you,
>>> Aman
>>>
>>> On Tue, Apr 12, 2016 at 6:36 PM, Aman Jindal <amanj... at gmail.com> 
>>> wrote:
>>>
>>>> Hi, I used CRAY-XC30-gfortran-cuda.psmp arch file and I have gcc-5.2.0 
>>>> version. Attached is the modified arch file.
>>>> Thank you
>>>> On Tuesday, April 12, 2016 at 6:21:25 PM UTC+5:30, Samuel Andermatt 
>>>> wrote:
>>>>>
>>>>> Which arch file did you use and which compiler version do you have?
>>>>>
>>>> -- 
>>>> 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+... at googlegroups.com.
>>>> To post to this group, send email to cp... at googlegroups.com.
>>>> Visit this group at https://groups.google.com/group/cp2k.
>>>> For more options, visit https://groups.google.com/d/optout.
>>>>
>>>
>>> -- 
>> 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+... at googlegroups.com <javascript:>.
>> To post to this group, send email to cp... at googlegroups.com <javascript:>
>> .
>> Visit this group at https://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/20160414/a029a69f/attachment.html>


More information about the CP2K-user mailing list