From owner-nwchem-users  Wed Apr 30 16:24:25 2003
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Date: Wed, 30 Apr 2003 17:13:52 -0600
From: Matthew Asplund <matt_asplund@byu.edu>
Subject: python and parallel execution
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I am trying to do a potential energy surface scan, and I got all of the 
python code working on my desktop machine.  I then tried to run it on my 
Linux cluster (which I have running for normal jobs), but when I try to 
run it, the job fails.  The program says:
  Reading NWChem input from temp.nw
sys:1: RuntimeWarning: Python C API version mismatch for module nwchem: 
This Python has API version 1011, module nwchem has version 1007.
Traceback (most recent call last):
 
 
                                NWChem Input Module
                                -------------------
 
 
 C1  symmetry detected
 
  ! warning: processed input with no task
 
 0:rcv_remote: type=163073, from=1, to=0, len=4, tag=17
rcv_remote: type mismatch ... strong typing enforced
IOT Trap
-10000(s):armci_rcv_req: failed to receive header : 0
-10000(s):armci_rcv_req: failed to receive header : 0
Last System Error Message from Task -10000:: Unknown error 4294967295
  1: rcv_remote: reading header from socket -1 (0xffffffff).
  File "<string>", line 1, in ?
IOError: [Errno 2] No such file or directory: 'nwchem.py'
sock=4, pid=1, nread=-1, len=20
  1: rcv_remote: reading header from socket -1 (0xffffffff).
system error message: Connection reset by peer
 Creating: host=thing1, user=asplund,
           file=/home/asplund/bin/nwchem, port=33063
 Creating: host=thing2, user=asplund,
           file=/home/asplund/bin/nwchem, port=33066
  2: interrupt(1)
Killed by signal 2.
WaitAll: Child (2507) finished, status=0xff00 (exited with code 255).
WaitAll: No children or error in wait?


I don't quite know what's different when I go to python execution, but 
something seems to go wrong.

Matthew Asplund