On Sat, Sep 10, 2011 at 5:05 PM, lina <lina.lastn...@gmail.com> wrote:
> Hi, > > My job terminated due to the storage out of the quote given by > administrator, > > here the md.log is unusual, so when I resume the job, the results won't > append on it. but still running... > > Here is the tail of md.log, > > DD step 31424999 load imb.: force 20.8% pme mesh/force 1.936 > > Step Time Lambda > 31425000 62850.00000 0.00000 > > <...snip...> > > DD step 31425999 load imb.: force 23.7% pme mesh/force 1.923 > > Step Time Lambda > 31426000 62852.00000 0.00000 > > <...snip...> > Kinetic En. Total Energy Temperature [lina@hostname > > > You may notice that the [lina@hostname] did not start in a new line. > > there is md_step31441735.cpt > and md_prev.cpt > > what is the final step stored in the md_prev.cpt? How do I check ? > gmxcheck shows: Last frame -1 time 62400.328 End of file on md.xtc but not on md_prev.cpt Thanks, > > >
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