Dear ADF developers and users,
I tried to run a parallel job of cpl.exe on 64 procs (IBM Sp5), the
input is below.
However it seems that the program only used 1 processor to calculate the
integrals, spending there (integral section) the whole slot of 24 hours
that was supposed to be used for the full calculation.
In the output I can read the following lines:
...etc...
...etc...
62 sp021 -1 62
63 sp021 -1 63
Communication Options:
----------------------
Broadcast: 4
Gather : 4
Combine : 4
... continue to run with only one process active ...
1(INPUT FILE)
maxmemoryusage 800
nmrcoupling
dso
.. etc....
.. etc...
When it says ...continue to run with only one process active... does it
really mean that it is only using one processor? The system
administrator is suggesting that it might be a problem related with a
low memory request in the input.
Does anybony know how to solve the problem in order to run the job on 64
processor instead of just one?
Thank you very much for you kind assistance,
--- INPUT-----
# @ wall_clock_limit = 24:00:00
# @ network.MPI = csss,shared,US
# @ total_tasks = 64
# @ blocking = unlimited
# @ resources = ConsumableCpus(1) ConsumableMemory(1500 mb)
# @ shell = /bin/tcsh
# @ class = largepar
# @ job_type = parallel
# @ output = job.log
# @ error = job.err
# @ queue
$ADFBIN/cpl <<eor >cpl.out
maxmemoryusage 800
nmrcoupling
dso
pso
fc
sd
scf convergence 1e-5
nuclei 1 2 9
end
endinput
eor
-- Giacomo Saielli Istituto per la Tecnologia delle Membrane del CNR, Sezione di Padova; Dipartimento di Scienze Chimiche, Via Marzolo, 1 - 35131 Padova, Italy; Tel: +39-049-8275279; Fax: -5239; http://www.chfi.unipd.it/home/g.saielli/Received on 2006-02-13 11:10:55
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