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

Aman Jindal amanjin... at gmail.com
Thu Apr 14 09:10:25 CEST 2016


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 <alfio.... at gmail.com>
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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