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--- cluster:212 [2022/03/02 14:57]
hmeij07 [HPC SDK]
+++ cluster:212 [2022/03/02 18:40] (current)
hmeij07 [HPC SDK]
@@ Line 89: / Line 89: @@
 [hmeij@n79 ~]$ find /share/apps/CENTOS7/nvidia/hpc_sdk/22.2/ -type f -name libcublas.so
-/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/math_libs/11.6/targets/x86_64-linux/lib/stubs/libcublas.so
+/share/apps/CENTOS7/.../math_libs/11.6/targets/x86_64-linux/lib/stubs/libcublas.so
-/share/apps/CENTOS7/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/math_libs/11.2/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/nvidia/hpc_sdk/22.2/Linux_x86_64/22.2/math_libs/11.0/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]]**

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