User Tools

Site Tools


quantum_espresso

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
quantum_espresso [2015/11/11 19:41]
root
quantum_espresso [2016/02/12 20:39]
root
Line 17: Line 17:
 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