[gmx-users] The right way of killing Gromacs

kobi kobi17 at gmx.de
Fri Sep 15 11:33:27 CEST 2006


the runtime of our cluster is unfortunately limited. Before mdrun is terminated a USR1 signal is
send, but this doesn't cause mdrun to writeout the current frame. Therefore most of the trajectory
is lost. I'd like to write a skrip which converts the USR1 sinal to some other signal. The question
is, which signal would cause mdrun to write out all data and terminate it afterwards?

best regards
Jan Neumann

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