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cluster:211 [2022/03/01 16:04] – hmeij07cluster:211 [2022/03/01 16:50] (current) – [DMTCP CRAC] hmeij07
Line 27: Line 27:
 # gcc  # gcc 
  export PATH=/share/apps/CENTOS7/gcc/9.2.0/bin:$PATH  export PATH=/share/apps/CENTOS7/gcc/9.2.0/bin:$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:$LD_LIBRARY_PATH+ export LD_LIBRARY_PATH=/share/apps/CENTOS7/gcc/9.2.0/lib64:\ 
 +/share/apps/CENTOS7/gcc/9.2.0/libexec:\ 
 +/share/apps/CENTOS7/gcc/9.2.0/lib:\ 
 +$LD_LIBRARY_PATH
  
  
Line 77: Line 80:
 Next gobble together a gpu program like lammps/amber and test on gpu. Or you may have to wait on new compute nodes to arrive with latest toolkit and redo. The libcublas links needs to be made on each node in  this queue ''n79'' belongs to. Next gobble together a gpu program like lammps/amber and test on gpu. Or you may have to wait on new compute nodes to arrive with latest toolkit and redo. The libcublas links needs to be made on each node in  this queue ''n79'' belongs to.
  
 +<code>
 +
 +# oh well, nice try
 +cudaGetDeviceCount failed CUDA driver version is insufficient for CUDA runtime version
 +
 +# manual with amber20 example
 +
 +dmtcp_launch --new-coordinator \
 +--coord-port 0 --port-file /sanscratch/checkpoints/111/port.txt \
 +--ckptdir /sanscratch/checkpoints/111 --interval 600   pmemd.cuda \
 +-O -o mdout.$LSB_JOBID -inf mdinfo.1K10 -x mdcrd.1K10 -r restrt.1K10 -ref inpcrd
 +
 +
 +</code>
  
 \\ \\
cluster/211.1646150673.txt.gz · Last modified: by hmeij07