编译QE6.2 一直不成功，请帮忙

gaussian08

这是我的配置文件：./configure --prefix=/home/dongkun/software/qe-6.2-exe FC=ifort F77=ifort F90=ifort BLAS_LIBS="-Wl,--start-group $MKL_LIB_PATH/libmkl_intel_lp64.a $MKL_LIB_PATH/libmkl_scalapack_lp64.a $MKL_LIB_PATH/libmkl_core.a -Wl,--end-group" SCALAPACK_LIBS="-Wl,--start-group $MKL_LIB_PATH/libmkl_scalapack_lp64.a $MKL_LIB_PATH/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group" F_LIBS="$FFT_LIB_PATH/libfftw3.a" LAPACK_LIBS="-Wl,--start-group $MKLDIR/libmkl_lapack95_lp64.a -Wl,--end-group"

这是报告错误：make loclib_onlymake[3]: Entering directory `/home/dongkun/software/qe-6.2/S3DE/iotk/src'
make[3]: Nothing to be done for `loclib_only'.
make[3]: Leaving directory `/home/dongkun/software/qe-6.2/S3DE/iotk/src'
mpif90 -static -o iotk_print_kinds.x iotk_print_kinds.o libiotk.a   
/usr/bin/ld: cannot find -lmpi_usempi
collect2: ld returned 1 exit status
make[2]: *** [iotk_print_kinds.x] Error 1

abdoman

-lmpi_usempi没有找到
libmpi_usempi 这个文件。估计是QE自带的吧
看看LD_LIBRARY 是否包含了QE自带库文件的路径吧。

bluewhale

以前装6.1的配置：
最好成套用, e.g.：
module load intel/parastudio/2015.6.233
./configure CC=mpicc FC=ifort F77=ifort MPIF90=mpiifort --prefix=/opt/espresso-6.1 LIBDIRS=/opt/intel/composer_xe_2015.6.233/mkl/lib/intel64