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cluster:212 [2022/03/02 14:20]
hmeij07 		cluster:212 [2022/03/02 18:40] (current)
hmeij07 [HPC SDK]
Line 72: Line 72:
 setenv("OPAL_PREFIX","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi") setenv("OPAL_PREFIX","/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/comm_libs/mpi")
  
 +</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> </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]]**
cluster/212.1646230813.txt.gz ยท Last modified: 2022/03/02 14:20 by hmeij07

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