I was always confused with the parameters used in ./configure command. I did not know how to find the exact meaning of these parameters. Yesterday, I finally found the secrete: --help.
After typing ./configure --help in the root directory of abinit and espresso, I got a list of parameters with a brief explanation.
Abinit installation
./abinit下的文件不要解压
./configure --enable-mpi --enable-mpi-io --with-mpi-prefix=/usr/mpi/intel/openmpi-1.4.3-qlc --with-dft-flavor="libxc" >log 2>&1 &
make
--enable-mpi Enable MPI support (default: None)
--enable-mpi-io Enable MPI I/O (default: None)
--with-dft-flavor Kind of DFT support to activate (default:
atompaw+bigdft+libxc+wannier90)
运行时显示error while loading shared libraries: libmpi_f90.so.0怎么办?
表明程序运行时找不到所需要的链接库libmpi_f90.so.0,请查看自己的环境变量设置:env | grep LD,正常的输出应该类似:
LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/064/lib/intel64:/opt/intel/Compiler/11.1/064/mkl/lib/em64t:/opt/intel/Compiler/11.1/064/lib/intel64:/opt/intel/Compiler/11.1/064/mkl/lib/em64t:/opt/lsf/6.0/linux2.6-glibc2.3-amd64/lib:/usr/mpi/intel/openmpi-1.4.1/lib64
libmpi_f90.so.0所在的目录为/usr/mpi/intel/openmpi-1.4.1/lib64
espresso installation
./install/configure MPIF90=/usr/mpi/intel/openmpi-1.4.3-qlc/bin/mpif90 >log 2>&1 &
make all
安装MPI configure 配置
最新推荐文章于 2024-06-29 16:48:49 发布