Both sides previous revision
Previous revision
Next revision
|
Previous revision
|
cluster:212 [2022/03/02 14:14] hmeij07 |
cluster:212 [2022/03/02 18:40] (current) hmeij07 [HPC SDK] |
<code> | <code> |
| |
| module use /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/modulefiles/nvhpc/ |
| module load 22.2 |
| module list |
| |
| Currently Loaded Modules: |
| 1) 22.2 |
| |
| module show 22.2 |
| ------------------------------------------------------------------------------------------------------------------------- |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/modulefiles/nvhpc/22.2: |
| ------------------------------------------------------------------------------------------------------------------------- |
| conflict("nvhpc") |
| conflict("nvhpc-nompi") |
| conflict("nvhpc-byo-compiler") |
| setenv("NVHPC","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2") |
| setenv("NVHPC_ROOT","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2") |
| setenv("CC","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvc") |
| setenv("CXX","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvc++") |
| setenv("FC","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvfortran") |
| setenv("F90","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvfortran") |
| setenv("F77","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvfortran") |
| setenv("CPP","cpp") |
| prepend_path("PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/cuda/bin") |
| prepend_path("PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin") |
| prepend_path("PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/bin") |
| prepend_path("PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/extras/qd/bin") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/cuda/lib64") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/cuda/extras/CUPTI/lib64") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/extras/qd/lib") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/lib") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/math_libs/lib64") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/lib") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/nccl/lib") |
| prepend_path("LD_LIBRARY_PATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/nvshmem/lib") |
| prepend_path("CPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/math_libs/include") |
| prepend_path("CPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/include") |
| prepend_path("CPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/nccl/include") |
| prepend_path("CPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/nvshmem/include") |
| prepend_path("CPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/extras/qd/include/qd") |
| prepend_path("MANPATH","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/man") |
| setenv("OPAL_PREFIX","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi") |
| |
</code> | </code> |
| |
| And a whole bunch of other stuff, consult documentation. |
| |
| <code> |
| |
| [hmeij@n79 ~]$ which nvcc nvc++ |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvcc |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvc |
| |
| [hmeij@n79 ~]$ which mpirun mpicc |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/bin/mpirun |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/bin/mpicc |
| |
| # no cublas for 10.2 |
| |
| [hmeij@n79 ~]$ find /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/ -type f -name libcublas.so |
| /share/apps/CENTOS7/.../math_libs/11.6/targets/x86_64-linux/lib/stubs/libcublas.so |
| /share/apps/CENTOS7/.../math_libs/11.2/targets/x86_64-linux/lib/stubs/libcublas.so |
| /share/apps/CENTOS7/.../math_libs/11.0/targets/x86_64-linux/lib/stubs/libcublas.so |
| |
| </code> |
| |
| And with the module loaded in your script, it will work on queue ''exx96'' |
| |
| <code> |
| |
| # gcc plus SDK |
| export PATH=/share/apps/CENTOS7/gcc/9.2.0/bin:$PATH |
| export LD_LIBRARY_PATH=/share/apps/CENTOS7/gcc/9.2.0/lib64:\ |
| /share/apps/CENTOS7/gcc/9.2.0/libexec:\ |
| /share/apps/CENTOS7/gcc/9.2.0/lib:\ |
| $LD_LIBRARY_PATH |
| module use /share/apps/CENTOS7/nvidia/hpc_sdk/modulefiles/nvhpc/22.2 |
| module load 22.2 |
| |
| |
| # which and wrapper stdout |
| |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/compilers/bin/nvcc |
| /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/bin/mpirun |
| /share/apps/CENTOS7/python/3.8.3/bin/python |
| |
| GPU allocation n79:1 |
| executing: /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi/bin/mpirun \ |
| -x LD_LIBRARY_PATH -machinefile /zfshomes/hmeij/.lsbatch/mpi_machines.844864 \ |
| -np 1 pmemd.cuda -O -o mdout.844864 -inf mdinfo.1K10 -x mdcrd.1K10 -r restrt.1K10 -ref inpcrd |
| |
| </code> |
| |
| |
\\ | \\ |
**[[cluster:0|Back]]** | **[[cluster:0|Back]]** |