Open A-006 opened 1 day ago
Fix #5414
PACKAGES=/work/home/acfvnd0rku/liu/packages CC=clang CXX=clang++ cmake -B build -DUSE_OPENMP=OFF -DENABLE_LCAO=OFF -DFFTW3_DIR=${PACKAGES}/fftw-3.3.9/build/ -DLAPACK_DIR=${PACKAGES}/OpenBLAS-0.3.21/build/lib -DSCALAPACK_DIR=${PACKAGES}/scalapack-2.2.0/ -DUSE_ROCM=ON cmake --build build -j50
and with the sbatch file as bellow
abacus=/work/home/acfvnd0rku/liu/fft2/abacus-develop/build/abacus_pw
module purge module load compiler/intel module load compiler/devtoolset/7.3.1 module load compiler/dtk/23.10 module load compiler/cmake/3.23.3 module load mpi/intelmpi/2021.3.0
mpirun -np 4 $abacus
the result is as follow:
Linked Issue
Fix #5414
What's changed?
!/bin/bash
PACKAGES=/work/home/acfvnd0rku/liu/packages CC=clang CXX=clang++ cmake -B build -DUSE_OPENMP=OFF -DENABLE_LCAO=OFF -DFFTW3_DIR=${PACKAGES}/fftw-3.3.9/build/ -DLAPACK_DIR=${PACKAGES}/OpenBLAS-0.3.21/build/lib -DSCALAPACK_DIR=${PACKAGES}/scalapack-2.2.0/ -DUSE_ROCM=ON cmake --build build -j50
and with the sbatch file as bellow
!/bin/bash
SBATCH --job-name=ABACUS_GPU
SBATCH --partition=work
SBATCH --nodes=1
SBATCH --output=output.log
SBATCH --ntasks-per-node=32
SBATCH --mail-user=username@email
SBATCH --gres=dcu:4 #dcu个数
SBATCH --time=01:00:00
SBATCH --error=error.log
abacus=/work/home/acfvnd0rku/liu/fft2/abacus-develop/build/abacus_pw
module purge module load compiler/intel module load compiler/devtoolset/7.3.1 module load compiler/dtk/23.10 module load compiler/cmake/3.23.3 module load mpi/intelmpi/2021.3.0
cd your_task_path
mpirun -np 4 $abacus
the result is as follow: