[Wien] Error when parsing klist in parallel

wiener at arcscluster.caltech.edu wiener at arcscluster.caltech.edu
Tue Oct 5 23:56:26 CEST 2004


Hello,

We are trying to use the k-point parallel version of wien2k on a dual 
opteron cluster running gentoo linux.
We compiled wien2k with PGI-5.1 and linking against the acml-2.0 
libraries. The serial code works on all inidividual nodes. However, 
when we try to run a "k-point parallel" (using ssh) calculation, the 
various case.klist_N files are messed up and start with the END flag.
For example, below is a case.klist and the case.klist_1 (the others look
the same) that results from trying a parallel run. We are using 6 nodes
in this case and the .machines file is also appended below. 
This produces a READ error on all the called nodes like so :

PGFIO-F-231/formatted read/unit=4/error on data conversion.
 File name = bccV_1e3k.klist_1    formatted, sequential access   record = 
1
 In source file inilpw.f, at line number 405

Has anyone had the same problem? Any suggestions?
Thanks,
Olivier.


case.klist:
==========
         1    1    1    1    4  8.0 -7.0  1.5        64 k, div: (  4  4  
4)
         2    2    2    1    4 12.0
         3    4    4    1    4  6.0
         4    4    3    2    4 24.0
         5    5    3    3    4  8.0
         6    4    4    3    4  6.0
END

case.klist_1:
============

END -7.0  1.5        64 k, div: (  4  4  4)

case.klist_2 (etc...):
=====================

END -7.0  1.5        64 k, div: (  4  4  4)

.machines:
=========

100:node001
#100:node001
100:node002
#100:node002
100:node003
#100:node003
100:node004
#100:node004
100:node005
#100:node005
100:node006
#100:node006

#granularity:1
#extrafine




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