[molpro-user] maximum number of processors in Cray XT4 system

Neeraj Rai neerajrai at gmail.com
Fri Feb 12 03:01:04 GMT 2010

Dear MolPro developers,

I seem to be not able to run molpro on more than 32 processor (node) on a
cray XT4 system. Am I hitting some kind of ceiling in number of processors
for particular type of job?

Here is some of the relevant information:

cpu       : Opteron 2300.000 MHz
 FC        : ftn
 BLASLIB   : -lacml
 id        : lbl

Nodes     nprocs
 nid06581     1
 nid06582     1
 nid06583     1
 nid06584     1
64 such entries...
ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   8.0 MW (determined by -G option)

 MPP tuning parameters: Latency=     0 Microseconds,   Broadcast speed=    0
 default implementation of scratch files=sf

input info..

 Variables initialized (631), CPU time= 0.02 sec
 Commands  initialized (426), CPU time= 0.01 sec, 469 directives.
 Default parameters read. Elapsed time= 0.30 sec

This is where it gets stuck/Hang

These are message on the standard output
ARMCI configured for 64 cluster nodes. Network protocol is 'PORTALS'.
could not unlink file prepin00025079
could not unlink file prepin00020843
could not unlink file prepin00020785

Any help will be greatly appreciated.


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