点击次数：

Load modules

module purge
module load compiler/devtoolset/7.3.1 mpi/hpcx/2.7.4/gcc-7.3.1
module load compiler/cmake/3.24.1
module load mathlib/hdf5/1.8.20/gcc mathlib/fftw/3.3.8/double/gnu
module load mathlib/zlib/1.2.8/gcc

Clone code to the hpc;

git clone https://gitlab.nektar.info/gaoak/nektar.git nektar
cd nektar
mkdir build
cd build

Download boost_1_71_0.tar.bz2, gsmpi-1.2.1_2.tar.bz2, scotch_6.0.4.tar.gz, tinyxml_2_6_2.tar.bz2, from https://www.nektar.info/thirdparty/. Put them in nektar/ThirdParty

in build, run cmake

cmake -DNEKTAR_USE_MPI=ON -DNEKTAR_USE_FFTW=ON \
-DNEKTAR_USE_HDF5=ON -DTHIRDPARTY_BUILD_BOOST=ON \
-DTHIRDPARTY_BUILD_HDF5=ON -DTHIRDPARTY_BUILD_FFTW=OFF \
-DTHIRDPARTY_BUILD_BLAS_LAPACK=ON \
-DFFTW_LIBRARY=/public/software/mathlib\
/fftw/3.3.8/double/gnu/lib/libfftw3.so  ..

make and install

make -j16 install

To submit job, use the script

#!/bin/sh
#SBATCH -J C1.5ThrustPlate
#SBATCH -o job-%j.log
#SBATCH -e job-%j.err
#SBATCH -p normal
#SBATCH -N 8
#SBATCH --ntasks-per-node=32
#SBATCH --cpus-per-task=1
#SBATCH --mem=100G
#SBATCH --time=0:10:0

echo Time is `date`
echo Directory is $PWD
echo This job runs on the following nodes:
echo $SLURM_JOB_NODELIST
echo This job has allocated $SLURM_JOB_CPUS_PER_NODE cpu cores.
module purge
module load  compiler/devtoolset/7.3.1 mpi/hpcx/2.7.4/gcc-7.3.1 mathlib/zlib/1.2.8/gcc mathlib/lapack/gnu/3.8.0 mathlib/hdf5/1.8.20/gcc mathlib/fftw/3.3.8/double/gnu
export NEK_DIR=/public/home/agao1/gaoaknektar/build
export NEK_BUILD=$NEK_DIR/dist/bin
export LD_LIBRARY_PATH=$NEK_DIR/ThirdParty/dist/lib:$NEK_DIR/dist/lib64:$LD_LIBRARY_PATH
export OMP_NUM_THREADS=1

MPIRUN=mpirun #Intel mpi and Open MPI
$MPIRUN $NEK_BUILD/IncNavierStokesSolver -v airfoil.xml airfoilc.xml  -i Hdf5  --set-start-chknumber 0  > runlog 2>&1