[gpaw-users] multinode run

[Ask Hjorth Larsen]

Did you try mpiprocs=80?  Or leaving out the mpiprocs specification?

Am Mi., 28. Aug. 2019 um 19:46 Uhr schrieb Jay Wai <jaywai412 at gmail.com>:
>
> Hi Ask,
>
> Thank you for your answer.
>
> I added the following lines in my pbs script.
>
> #PBS -l select=2:ncpus=40:mpiprocs=40:ompthreads=1
> mpirun gpaw-python ./test.py > ./test.out
>
> The log file shows that the total number of cores is 40, not 80, like when I entered 'select=1' in the script.
>
> I don't know about slurm. I'll ask system admin.
>
> Best,
> Jay
>
> 2019년 8월 29일 (목) 오전 1:37, Ask Hjorth Larsen <asklarsen at gmail.com>님이 작성:
>>
>> 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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