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cluster:214 [DokuWiki]

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cluster:214 [2022/08/03 09:10]
hmeij07 [Amber22]
cluster:214 [2022/08/03 09:13]
hmeij07 [Amber22]
Line 686: Line 686:
 export LD_LIBRARY_PATH=/share/apps/CENTOS7/gcc/6.5.0/lib64:$LD_LIBRARY_PATH export LD_LIBRARY_PATH=/share/apps/CENTOS7/gcc/6.5.0/lib64:$LD_LIBRARY_PATH
  
 +# edit or add correct source line, which and ldd lines just for debugging
 ###source /usr/local/amber16/amber.sh # works on mwgpu ###source /usr/local/amber16/amber.sh # works on mwgpu
 ###source /usr/local/amber20/amber.sh # works on exx96 ###source /usr/local/amber20/amber.sh # works on exx96
Line 691: Line 692:
 which nvcc mpirun python which nvcc mpirun python
 ldd `which pmemd.cuda_SPFP` ldd `which pmemd.cuda_SPFP`
- 
-# which and ldd just for debugging 
  
 </code> </code>
cluster/214.txt ยท Last modified: 2023/08/18 12:19 by hmeij07