CCL: exam09 and MPI

[<gas5x\a/bancorp.ru>]

 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