Am 21.06.2012 um 12:32 schrieb Semi:

> I know how to run MPI on SGE. But GAMESS is more tricky, than simply MPI.
> If you have such experience, please send me detailed example, like in 
> attached link.

Well, we also use GAMESS sometimes but just with the default socket 
communication.

Nevertheless, what I remember is that using MPI you need per node one data 
server plus the the computing instances. I.e. in principle you are starting 
more processes than granted slots, as some processes are used for communication 
only.

This explains the doubling of processes in the given link. If you do the same 
in SGE, it's not working? In former times doubling the number of processes was 
indeed a problem, as this would lead to more `qrsh -inherit ...` calls than 
allowed by SGE. Recent MPI implementations are making only a one time `qrsh 
-inherit ...` to a slave node and using forks for additional processes.

What happens if you just run it with the double amount of processes in SGE?

-- Reuti


> On 6/21/2012 1:08 PM, Dave Love wrote:
>> Semi <s...@bgu.ac.il> writes:
>> 
>>> How I can run GAMESS compiled with MPI on SGE?
>>> I found only PBS:
>>> http://ccmst.gatech.edu/wiki/index.php?title=GAMESS
>> There are multiple GAMESS (-US, -UK, PC-) you can play, but they should
>> run like any other MPI job, though some are better behaved than others.
>> 
>> Is the problem not knowing how to configure SGE for MPI jobs generally?
>> 
> 
> 
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