[gmx-users] restart error
ingram
ingram at fhi-berlin.mpg.de
Thu Jun 23 02:34:21 CEST 2016
Dear Grommunity,
When I try and restart with the command "mpiexec -np 192 mdrun_mpi -v
-deffnm md_golp_vacuo -s topol.tpr -cpi md_golp_vacuo.cpt -multidir
simann59 simann60 simann61 simann62 simann63 simann64 simann65 simann66
simann67 simann68 simann69 simann70 simann71 simann72 simann73 simann74"
I get the error " Fatal error: Can't read 187477 bytes of
'md_golp_vacuo.log' to compute checksum". I then see that the
simulations where this occurs are much behind the others, for example:
Step Time Lambda
31000000 31000.00000 0.00000
Step Time Lambda
32000000 32000.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
Step Time Lambda
57500000 57500.00000 0.00000
I have already posted about this issue, and I thought I had made the
mistake. But I believe this to be a bug in GROMACS but please tell me if
this still seems like a user error and not GROMACS. I am using GROMACS
5.1.2
Best
Teresa
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