Installing Libint
Procedure
- Use PuTTY to log in to the server as the root user.
- Run the following command to install the dependency package using Yum:
yum install gmp-devel.aarch64 libudev* -y
- Run the following commands to create the installation directory:
mkdir -p /path/to/EXTRA mkdir -p /path/to/EXTRA/mathlib
- Run the following command to decompress the Libint installation package:
tar -xvf libint-2.6.0.tar.gz
- Run the following commands to perform configuration:
cd libint-2.6.0 ./autogen.sh
- Run the following commands to create a build directory and switch to the directory:
mkdir build cd build
- Run the following commands to configure the environment:
export LDFLAGS="-L/path/to/GMP/gmp-6.2/lib -L/path/to/BOOST/boost_1_72/lib" export CPPFLAGS="-I/path/to/BOOST/boost_1_72/include/ -I/path/to/GMP/gmp-6.2/include"
- Run the following command to perform configuration:
../configure CXX=mpicxx --enable-eri=1 --enable-eri2=1 --enable-eri3=1 --with-max-am=4 --with-eri-max-am=4,3 --with-eri2-max-am=6,5 --with-eri3-max-am=6,5 --with-opt-am=3 --enable-generic-code --disable-unrolling --with-libint-exportdir=libint_cp2k_lmax4
- Run the following command to perform compilation:
make export
- Run the following commands to decompress the libint_cp2k_lmax4.tgz installation package:
tar -xvf libint_cp2k_lmax4.tgz cd libint_cp2k_lmax4
- Run the following command to perform configuration:
./configure --prefix=/path/to/EXTRA/libint2 CC=mpicc CXX=mpicxx FC=mpifort --enable-fortran --enable-shared
- Run the following commands to perform compilation and installation:
make -j 32 make install
Parent topic: Configuring the Compilation Environment