[CP2K:7665] Re: CP2K compiling on CRAYXC40 - cuda version using gnu compiler

Alfio Lazzaro alfio.... at gmail.com
Wed Apr 13 11:22:27 UTC 2016

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?


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 
> <javascript:>> 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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