update the DCU compile #5563
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update the DCU compile #5563
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caic99
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Nov 21, 2024
mohanchen
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Compile & CICD & Docs & Dependencies
Qianruipku
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Nov 25, 2024
Fisherd99
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Mar 31, 2025
* update the duc compile * update the FFT_CUDA in the fft_bundle.cpp * update the rcom to rocm --------- Co-authored-by: Qianrui Liu <[email protected]>
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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:
