在超算上运行并行版Gromacs出现如下提示
* Hwloc has encountered what looks like an error from the operating system.*
* object intersection without inclusion!
* Error occurred in topology.c line 594
*
* Please report this error message to the hwloc user's mailing list,
* along with the output from the hwloc-gather-topology.sh script.这是第一个提示，也就是说openmpi可能有问题，对吗？但是超算上的MPI是主机早都编译好的，我前段时间用超算做并行模拟的时候，完全没问题啊。为什么现在提示这个错误？？？？
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starting mdrun 'Protein in water'
20000000 steps,40000.0 ps.
step 0
step 30: timed with pme grid 100 100 100, coulomb cutoff 1.000: 8465.0 M-cycles
step 50: timed with pme grid 84 84 84, coulomb cutoff 1.170: 8763.5 M-cycles
step 70: timed with pme grid 72 72 72, coulomb cutoff 1.365: 7046.3 M-cycles
step 90: timed with pme grid 64 64 64, coulomb cutoff 1.536: 7913.3 M-cycles
step110: timed with pme grid 80 80 80, coulomb cutoff 1.229: 8378.4 M-cycles
step130: timed with pme grid 72 72 72, coulomb cutoff 1.365: 7962.1 M-cycles
optimal pme grid 72 72 72, coulomb cutoff 1.365
imb F 81% pme/F 2.53 step 200, will finish Fri Jun5 14:31:37 2015
imb F 80% pme/F 2.44 step 300, will finish Mon Jun1 22:43:18 2015
imb F 88% pme/F 2.72 step 400, will finish Sun May 31 03:16:06 2015 第二个问题是，前几天使用超算做并行的MD模拟，三天就可以运算完成。但这几天 模拟 同样的文件，却需要5个月才能结束？这是怎么回事？哪里出问题了？
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