Multiple processes per node on a cluster
MOLPRO
molpro at kressworks.com
Sun Sep 21 19:27:30 BST 2003
With Nick's and Peter's help (thanks guys!), I have been able to get MOLPRO
running in parallel on my cluster. Now I have a question:
I managed to locate the procgrp file location (for the stout hearted, it's
/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6) and specified my own (which
works just fine). The general form of the content of the procgrp file is:
user node number_of_processes path_to_executable work_directory
In my case, specifically, the contents are (simplified for this discussion)
root n01 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n02 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n03 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n04 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
Is this functionally the same as:
root n01 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n01 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s2
root n02 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n02 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s2
root n03 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n03 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s2
root n04 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s1
root n04 2 /usr/molprop_2002_6_p4_tcgmsg.exe /s2
?
When I run each choice of procgrp, I see no net effect on 'real' time. Under
MPICH, with other software, I can specify the second type of procgrp and see
a substantial reduction in real time since each processor is treated as a
separate instance of that executable.
Am I correct in my conclusion that MOLPRO/ Global Arrays does not do the same
as MPICH? Does MOLPRO/ Global Arrays take the specification of 2 processes
for a node and just turn on SMP processing? Is there a way I can get MOLPRO
to provide the same behavior I have seen with MPICH?
Any insight that anyone can provide would be appreciated.
Also, does anyone know why MOLPRO ignores the work_directoy specified in the
procgrp file?
I will summarize responses to the list.
Jim
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