Error Compiling 4.1 with Libsmm

[Peter Gillespie]

Hello Alfio,

After talking things through with our sysadmin and stripping away all extra 
packages, make seems to compile fine but simply stops after a while.

While it does produce an executable, it clearly hasn't been compiled 
correctly as all the regtests fail with runtime errors. I have attached the 
current arch file and output/error streams from compilaton and regtesting.

Given that make stops working when reading the data from FFTW3, would it be 
safe to say that there is an issue with our FFTW3 install?

Best Regards

-Peter
On Friday, 9 June 2017 21:30:06 UTC+1, Alfio Lazzaro wrote:
>
> Hello Peter,
> your error message (a linking error) has nothing to do with libsmm. The 
> message says that the error is in missing symbols of libxc and libint.
> I would suggest to update your arch file based on the arch file we use for 
> testing:
>
>
> https://www.cp2k.org/static/regtest/trunk/uzh-opt5/Linux_gnu-4.9.2_mkl-11.2.1.popt.out
>
> It uses OpenMPI with MKL.
>
> I hope it helps.
>
> Alfio
>
>
>
>
> Il giorno mercoledì 7 giugno 2017 17:08:20 UTC+2, Peter Gillespie ha 
> scritto:
>>
>> Dear All,
>>
>> I have recently tried to compile CP2K 4.1 with Libsmm, built from the 
>> relevant "build_libsmm" directory provided in the distribution. Attached 
>> are the architecture file and a text file showing the error stream from the 
>> point at which the error occurred. The commented out sections of the arch 
>> file were from previous attempts to build the program with CUDA support and 
>> PLUMED, but I've left these out due to previous problems trying to include 
>> them in the build.
>>
>> I hope that this is just a simple problem, one that is just due to my 
>> limited experience at compiling software, so I will gladly try any changes 
>> that people can think of.
>>
>> I am using v17.0.0 of the Intel compiler stack, as well as openmpi 2.0.1 
>> and Intel MKL for that stack.
>>
>> Many Thanks
>>
>> -Peter
>>
>
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