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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

and the calculation of partial charges completed

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.


--- Peter Schueller <ps@brumma.com> wrote:

> Francesco Pietra wrote:
> > 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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