I'm trying to compile yambo 5.0.4, after typing
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./configure FC=ifort CC=icc --with-fft-libs="-mkl" --with-blas-libs="-L$MKLROOT -lmkl_intel_lp64 -lmkl_sequential -lmkl_core " --with-lapack-libs="-L$MKLROOT -lmkl_intel_lp64 -lmkl_sequential -lmkl_core " --with-scalapack-libs="-L$MKLROOT -lmkl_scalapack_lp64 " --with-blacs-libs="-L$MKLROOT -lmkl_blacs_intelmpi_lp64 " --enable-iotk
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make core
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>>>[Making electrons]<<<
Warning #2216: '=' assumed following macro name "_lib_ypp_electrons" in command-line definition
make[2]: 进入目录“/public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons”
cd /public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons; /public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/sbin/moduledep.sh electrons_driver.o electrons_spin_factors.o electrons_pdos_factors.o electrons_magn_factors.o electrons_dos.o electrons_dos_elemental.o electrons_dos_setup.o electrons_density.o electrons_bands.o electrons_WFs.o electrons_current.o electrons_magnetization.o electrons_bands_interpolate.o electrons_spin_and_magn_interpolate.o > /public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons/make.dep
make[2]: 离开目录“/public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons”
make[2]: 进入目录“/public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons”
electrons_driver.F electrons_spin_factors.F electrons_pdos_factors.F electrons_magn_factors.F electrons_dos.f90(215): error #8527: If a bound remapping list is specified, data target must be simply contiguous or of rank one. [PDOS_FAC_P]
PDOS_fac_p(LB(1):UB(1),LB(2):UB(2),LB(3):UB(3)) => PDOS_fac_p
--------------------------------------------------------^
electrons_dos.f90(223): error #8527: If a bound remapping list is specified, data target must be simply contiguous or of rank one. [SPIN_FAC_P]
SPIN_fac_p(LB(1):UB(1),LB(2):UB(2),LB(3):UB(3)) => SPIN_fac_p
--------------------------------------------------------^
compilation aborted for electrons_dos.f90 (code 1)
make[2]: *** [electrons_dos.o] 错误 1
make[2]: 离开目录“/public/home/ugrs1_LJ/lth/QE/yambo-5.0.4/ypp/electrons”
make[1]: *** [ypp] 错误 2
make[1]: 离开目录“/public/home/ugrs1_LJ/lth/QE/yambo-5.0.4”
ypp build failed
Thanks,
Tenghui
Zhejiang University, China