Error Compiling 4.1 with Libsmm

[Alfio Lazzaro]

Hi Peter,
good that the compilation went fine.
However, I cannot get anything useful from the regtests output...
It would be good to run a simple example to see the error message.
For instance, you can run (from the main cp2k directory)

mpirun -np 2 exe/Linux-x86-64-gfortran-sharc/cp2k.popt tests/LIBTEST/
*dbcsr_mm_blas.inp*

Please attach the output. I would be good to recompile CP2K with -g flag to 
see the stacktrace.

Alfio


Il giorno giovedì 15 giugno 2017 12:59:12 UTC+2, Peter Gillespie ha scritto:
>
> 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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