cp2k build intel compilers

[Stanislav Šimko]

Well, it's unfortunately getting a lot messier. I got cp2k compiled on 2 
machines in the end, but I get bad results. On both machines, I use intel 
17.0.2 compilers. Results on both machines are different (and presumably 
wrong) from each other. I also compared results of the input file to 
results obtained by an older versions (4.1 compiled with gcc on one 
machine, 3.0 compiled with some intel compilers on the second machine; 
these two installations gave same results). All energies except the self 
energy is different:
"coorect"

  Overlap energy of the core charge distribution:              
 0.00000310201993
  Self energy of the core charge distribution:              
-1007.31897988265303
  Core Hamiltonian energy:                                    
295.26625363987614
  Hartree energy:                                            
 418.52562360415197
  Exchange-correlation energy:                              
 -101.48179826891138

  Total energy:                                              
-395.00889780551631

  outer SCF iter =    1 RMS gradient =   0.00E+00 energy =      
 -395.0088978055
  outer SCF loop converged in   1 iterations or   15 steps


 ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):            
 -395.008897805517336


wrong output files are attached. I'm now trying to find out how to test 
LIBINT, LIBXC, LIBXSMM and ELPA. Haven't had much luck yet.

Thank you for any suggestions.
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