ABINIT Discussion Forums

Is there any time limit inside abinit? I'm running for abinit by 5-6 days and at some point it broke ups for some reason. Is it my mpi configuration, or something wrong with abinit?

Hello,

If you are running on a cluster, there should be a maximum time for any job you run. In abinit, there is no time limit by default. You can set a time limit by using one of these variables : http://www.abinit.org/documentation/helpfiles/for-v6.8/input_variables/vargs.html#cpu

For example, using cpuh 10 will force the program to finish properly after 10 hours (properly means it will try to produce a WFK file and/or DEN file so that you can restart from them). It might be useful using this variable in combination with the time limit of the cluster : lets say you cannot run more than 1 day on the cluster, you could setup cpuh to 22 so that after 22 hours running, the job does not crash without anything left, it will create the WFK file and then stop. Note that this possibility might not be available for all types of calculations in abinit (like response calculations, gw calculations, bse calculations, ...) but it should work for ground state calculations.

David

They say there is no time limit inside cluster, but the problem still fails. So I was starting thinking of time limit inside abinit. Thank you for response, I'll continue to search the problem.