dalton编译出错：undefined reference to `spdcar_' ...

zq0527

请教各位前辈，
按照此教程编译：下面的过程将把Dalton安装到/sob/dalton目录下。依次运行
cd dalton_src
./setup --fc=mpiifort --cc=mpiicc --cxx=mpiicpc --mkl=sequential --prefix=/sob
cd build
make install -j
后出现错误
ib/libdalton.a(dft_grid.F.o): In function `radlmg_':
dft_grid.F:(.text+0x5fc): undefined reference to `spdcar_'
dft_grid.F:(.text+0x1109): undefined reference to `spdcar_'
lib/libdalton.a(dft_grid.F.o): In function `nucbas_':
dft_grid.F:(.text+0x1783): undefined reference to `spdcar_'
dft_grid.F:(.text+0x1999): undefined reference to `spdcar_'
lib/libqfitlib_interface.a(qfitlib_interface.F90.o): In function `qfitlib_interface_mp_qfitlib_ifc_compute_dipole_':
qfitlib_interface.F90:(.text+0x17a5): undefined reference to `dp0sum_'
lib/libqfitlib_interface.a(qfitlib_interface.F90.o): In function `qfitlib_interface_mp_qfitlib_ifc_initialize_':
qfitlib_interface.F90:(.text+0x3cf2): undefined reference to `molchr_'
lib/libpelib_interface.a(pelib_interface.F90.o): In function `pelib_interface_mp_pelib_ifc_lf_':
pelib_interface.F90:(.text+0x51c3): undefined reference to `wrtpro_'
pelib_interface.F90:(.text+0x531a): undefined reference to `wrtpro_'
pelib_interface.F90:(.text+0x5463): undefined reference to `wrtpro_'
lib/libgen1int_interface.a(gen1int_host.F90.o): In function `gen1int_host_test_':
gen1int_host.F90:(.text+0xb4d4): undefined reference to `pr1in1_'
gen1int_host.F90:(.text+0xb5e6): undefined reference to `pr1in1_'
gen1int_host.F90:(.text+0xb717): undefined reference to `pr1in1_'
make[2]: *** [dalton.x] Error 1

wzkchem5

重新make install -j一次。可能是因为并行编译的调度问题，有的该先编译的没有先编译好，导致后编译的文件找不到那些需要先编译的文件，如果是这样的话再make install -j一次，把没编译的再编译一次，有一定概率解决问题

zq0527

wzkchem5 发表于 2021-8-22 15:35
重新make install -j一次。可能是因为并行编译的调度问题，有的该先编译的没有先编译好，导致后编译的文件 ...

谢谢您的回复，后来去掉-j又编译了一次就好了。