Hello, everyone
Now I have a problem with gulp when conducting dynamics simulations for large system more than 60, 000.00 atoms. Since it usually takes two months to finish a job using 8 cpus on our server, so we just can’t afford to resubmit the job from the scratch if it was stopped due to system interruption or power shutdown. Someone has suggested me to use the command” dump every 1 x.res” in the input file to create a restart file. By using this “restart/checking point” function, one can restart the stopped job.
I use a file browser to open the restart file and extract the information into a new file as an input file. Ane then re-run the job, but there is reminder
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! ERROR : temperature has exceeded maximum allowed set by mdmaxtemp
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

so i changed the thermostat parameter to a much bigger one and changed the timestep to a much smaller one(1:100), but the issue still exist.
Is there anyone who met this issue before?

Thanks a lot in advance.

Regards,
Weifu