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--- cluster:212 [2022/03/02 15:20] – [HPC SDK] hmeij07
+++ cluster:212 [2022/03/02 18:40] (current) – [HPC SDK] hmeij07
@@ 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>
@@ Line 110: / Line 110: @@
 # 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
+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>