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cluster:211 [2022/03/01 16:04] hmeij07 |
cluster:211 [2022/03/01 16:50] (current) hmeij07 [DMTCP CRAC] |
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# gcc | # gcc | ||
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- | | + | |
+ | / | ||
+ | / | ||
+ | $LD_LIBRARY_PATH | ||
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Next gobble together a gpu program like lammps/ | Next gobble together a gpu program like lammps/ | ||
+ | < | ||
+ | |||
+ | # oh well, nice try | ||
+ | cudaGetDeviceCount failed CUDA driver version is insufficient for CUDA runtime version | ||
+ | |||
+ | # manual with amber20 example | ||
+ | |||
+ | dmtcp_launch --new-coordinator \ | ||
+ | --coord-port 0 --port-file / | ||
+ | --ckptdir / | ||
+ | -O -o mdout.$LSB_JOBID -inf mdinfo.1K10 -x mdcrd.1K10 -r restrt.1K10 -ref inpcrd | ||
+ | |||
+ | |||
+ | </ | ||
\\ | \\ |