quantum_espresso
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quantum_espresso [2015/11/11 19:41] root |
quantum_espresso [2016/02/12 20:39] (current) root |
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| SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 | SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 | ||
| FFT_LIBS = -L ${MKL_ROOT}/interfaces/fftw3xf -lfftw3xf_intel | FFT_LIBS = -L ${MKL_ROOT}/interfaces/fftw3xf -lfftw3xf_intel | ||
| + | |||
| MVAPICH2: same except | MVAPICH2: same except | ||
| SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 | SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 | ||
| + | |||
| trestles: same except | trestles: same except | ||
| no -axavx (though an "optional" code path, it makes the program fail on AMD) | no -axavx (though an "optional" code path, it makes the program fail on AMD) | ||
quantum_espresso.txt · Last modified: 2016/02/12 20:39 by root
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