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

[Alfio Lazzaro]

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?
>>>>>
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