webeibei 发表于 2015-10-16 15:46:07

gromacs跑MD出现的问题

Back Off! I just backed up md_0_1.log to ./#md_0_1.log.14#
Reading file md_0_1.tpr, VERSION 4.6.7 (single precision)

Will use 24 particle-particle and 8 PME only nodes
This is a guess, check the performance at the end of the log file
Using 32 MPI threads
Using 1 OpenMP thread per tMPI thread

Back Off! I just backed up md_0_1.trr to ./#md_0_1.trr.6#

Back Off! I just backed up md_0_1.xtc to ./#md_0_1.xtc.6#

Back Off! I just backed up md_0_1.edr to ./#md_0_1.edr.6#
starting mdrun 'LYSOZYME in water'
500000 steps,   1000.0 ps.

NOTE: Turning on dynamic load balancing
请问出现这个是有什么问题呢？是因为版本不一样吗？

Rebecca.艾 发表于 2017-8-10 15:27:04

这好像不是问题啊，MD已经再跑了

ssyangchen 发表于 2017-11-2 20:25:10

这个已经在跑了的，back off，不是出错的信息
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