From owner-chemistry@ccl.net Mon May 29 04:34:00 2006
From: "gas5x.+/-.bancorp.ru" <owner-chemistry+/-server.ccl.net>
To: CCL
Subject: CCL: exam09 and MPI
Message-Id: <-31852-060529032506-30038-uOWDocxg9r0n7dZFHIIIsw+/-server.ccl.net>
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Date: Mon, 29 May 2006 10:24:45 +0400
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Sent to CCL by: [gas5x(0)bancorp.ru]
Hi Fernando,

On Fri, 26 May 2006 09:44:43 -0400
  "Fernando Mota Valeri f.mota_-_ub.edu" 
<owner-chemistry]|[ccl.net> wrote:
> Sent to CCL by: Fernando Mota Valeri [f.mota|ub.edu]
> I am trying to run the exam09 ( a MRMP2 in memory 
>determinant  
> calculation) job with GAMESS VERSION = 27 JUN 2005 (R2) 
>in a cluster  
> with mpi and i obtain the message that follows:
  
> 
>       DIRECT 4-INDEX TRANSFORMATION
>       SCHWARZ INEQUALITY TEST SKIPPED          0 
>INTEGRAL BLOCKS
> DDI Process 0: Invalid row dimensions during DDI_Get => 
>ilo=0 ihi=-1.
> A fatal error occurred on DDI Process 0.
> DDI Process 0: Killing remaining DDI processes.
> DDI Process 1: Invalid row dimensions during DDI_Get => 
>ilo=0 ihi=-1.

What is your hardware and Fortran compiler? I'm using 
Intel Fortran 8.1 EMT64 and gcc3 to build the code.

I had same experience (but for different GAMESS example, 
exam36), after upgrading Linux on my Opteron cluster to 
CentOS 4.3: with old Linux it did worked, but not with the 
new one.

I believe something changed in the system libraries. 
Switching to the "old" DDI helped to fix it. (But one 
needs to correct the underscores in ddisoc.c defines)

--
Grigory Shamov,
Kazan Science Centre of RAS