Re: shared memory in computational chemistry
Hi Peter:
Thanks. I set
echo "60000000" >/proc/sys/kernel/shmmax
because the segment to allocate was ca 39mb. In
between the rows reporting the steady approach to scf
energy, a row appeared:
1 warning: armci set_mem_offset: offset changed 0 to
8192
and the calculation of partial charges completed
successfully.
As to a permanent solution, is any drawback in setting
shmmax as above (or even to a higher value)
permanently? Probably this issue of allocating big
fragments will become routine, though I can't predict
their size.
francesco
--- Peter Schueller <ps@brumma.com> wrote:
> Francesco Pietra wrote:
> > QUESTIONS:
> > 1) How to set shmmax in debian?
>
> for experiments i suggest:
>
> echo "10000000" >/proc/sys/kernel/shmmax
>
> for a permanent solution you have to edit
> /etc/sysctl.conf where you will be able to put a
> line like
>
> kernel.shmmax = 1000000
>
> (have a look at man sysctl.conf)
>
> But I don't know if this will work in your cluster
> ...
>
> Best Regards,
>
> Peter
>
>
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