wget公司 https://raw.githubusercontent.com/TinkerTools/tinker-hp/master/GPU/examples/cox.xyz wget公司 https://raw.githubusercontent.com/TinkerTools/tinker-hp/master/GPU/examples/cox.key 导出BENCHMARK_DIR=$PWD
cd$BENCHMARK_DIR docker运行--rm--gpus all--ipc=host-v$BENCHMARK_DIR:/host_pwd-w/host_pwd nvcr.io/hpc/tinkerhp:YYYY。 MM mpirun--超额订阅-np 1/usr/local/tinger-hp/bin/dynamic-cox.xyz 500 2 20 2 300
docker run--rm--gpus all--runtime nvidia--ipc=host-v$BENCHMARK_DIR:/host_pwd-w/host_pwd-nvcr.io/hpc/tinkerhp:YYYY(docker运行时nvidia--ipc=主机-v$BANCHMARK _DIR:/主机pwd)。 MM mpirun--超额订阅-np 1/usr/local/tinger-hp/bin/dynamic-cox.xyz 500 2 20 2 300
cd$BENCHMARK_DIR 奇点运行--nv-B$BENCHMARK_DIR:/host_pwd--pwd/host_pwd docker://nvcr.io/hpc/tingerhp:YYYY.MM(码头工) mpirun--oversubscribe-np 1/usr/local/tickle hp/bin/dynamic cox.xyz 500 2 20 2 300
LD_LIBRARY_PATH=“”奇点运行--nv-B$BENCHMARK_DIR:/host_pwd--pwd/host_pwd-docker:nvcr.io/hpc/tinkerhp:ngc-YYYYMMDD mpirun--oversubscribe-np 1 dynamic cox.xyz 500 2 20 2 300
srun--mpi=pmi2--ntasks-per-node=1奇点运行--nv-B$PWD:/host_PWD--PWD/host_PWD-tinkerhp.sif/usr/local/tinker-hp/bin/dynamic-cox.xyz 500 2 20 1 300