Re: [Wien] Fwd: Re: MPI stuck at lapw0

2017-11-07 Thread Peter Blaha
The different runtime fractions for small and large systems is due to the scaling of the time. lapw0 scales basically linear with the number of atoms, but lapw1 scales cubically with the basisset. And here is the second problem: for your nanowire you get a matix size of about 13x13, an

[Wien] Fwd: Re: MPI stuck at lapw0

2017-10-23 Thread Peter Blaha
Forwarded Message Subject: Re: [Wien] MPI stuck at lapw0 Date: Mon, 23 Oct 2017 13:41:28 +0200 From: Peter Blaha To: Luigi Maduro - TNW There are 2 different things: lapw0para executes: $remote $machine "cd $PWD;$t $exe $def.def" where $remote is either ssh or rsh (