[gpaw-users] multinode run

[Ask Hjorth Larsen]

Hi,

Am Mi., 28. Aug. 2019 um 14:41 Uhr schrieb Jay Wai via gpaw-users
<gpaw-users at listserv.fysik.dtu.dk>:
>
> Dear users,
>
> I've used gpaw with openmpi, scalapack, and fftw installed in a supercomputer.
> I've just started to try it in multiple nodes, but it is not working out.
> For example, the submission of a pbs job with 2 nodes does not make any difference from that with a single node in terms of speed.
>
> If each node has 40 cores, should the number of cores be printed to be 80 in 2 nodes-run in a log file?
> In my case, it is printed to be 40.
> I could not find a line indicating the number of nodes in a log file.

Yes, it should show 80 cores.  Something must have decided which cores
were available.  Did you run mpirun -np 80, or did slurm/srun receive
some information?.

Best regards
Ask

>
> I might have to ask system admins, but I wanted to first check if something specific is required to run gpaw in multiple nodes in compiling or something.
>
> Best,
> Jay
>
>
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