Error Compiling 4.1 with Libsmm

Alfio Lazzaro alfio.... at
Fri Jun 9 20:30:05 UTC 2017

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 

It uses OpenMPI with MKL.

I hope it helps.


Il giorno mercoledì 7 giugno 2017 17:08:20 UTC+2, Peter Gillespie ha 
> 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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