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CP2K

Software Versions

Software Version System Usage Notes
CP2K 2.5.1 Orcinus

module load intel

C2PK="/global/software/cp2k-2.5.1/bin/cp2k"

mpiexec ${C2PK} input_file.inp > output_file.out

this version includes libXC2 + libint2 (HFC)