LIBS = -lblis -lxsmmf -lxsmm -ldl -lpthread -lsmm_dnn -lxcf03 -lxc -lderiv -lint -lfftw3 -lstdc++
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I also appreciate your suggestion for libxsmm and libsmm. Actually we have cp2k as a application task in a cluster competition.Do you know any way to boost performance a bit without changing the given input file?
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calculate_rho_elec 198.213