[gmx-users] Error on restart REMD simulations
leilasalimi at gmail.com
Sun Jan 4 21:22:39 CET 2015
Dear Gromacs users,
When I tried to restart my REMD simulations, I got this error :
The 16 subsystems are not compatible
When I checked the cpt files I found that 2 replicas have different time
from other replicas, and I knew that the error comes from this issue.
For example replica 2 and replica 7 are at 124141.297 time and the others
are at 124580.523 time.
I found that the *_prev.cpt files have the same information as the two cpt
file ( replica 2 and 7).
Can I change the name of this *_prev.cpt to *.cpt and keep the state2.cpt
and state7.cpt and run the simulation again?
I used this command " mdrun_mpi_d -s topol_.tpr -multi 16 -replex 1000
-append -cpi state.cpt "
How can I fix this problem? Is it possible to have the all output files
appending or I have to rename the outputs every time?
Thanks for your help.
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