From owner-chemistry@ccl.net Mon Sep 18 12:21:00 2006
From: "Pablo A. Denis pablod%%fq.edu.uy" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: gamess
Message-Id: <-32559-060918121217-13832-FA0b0RqRbeMADKOVT1Kp7w(-)server.ccl.net>
X-Original-From: "Pablo A. Denis" <pablod_._fq.edu.uy>
Date: Mon, 18 Sep 2006 12:12:16 -0400


Sent to CCL by: "Pablo A. Denis" [pablod^fq.edu.uy]
Hi CCLers,
          I am having some problems to install gamess under AIX 5.3 power5 proc, employing the following software: ESSL4.0, XLF10.1 and XLC8.0. 

1- The compilation goes without any error messages in compall.log, lked.log compddi.log (the blaswrap is used), however six examples crashed, 5, 14, 19 (GUGA=CITYP) and 23, 25 and 27 (semiempirical pm3 and am1). The error message is the same:  

DDI process 0: trapped a segmetnation fault (SIGSEGV) 

Any hint to figure out where is the mistake?

2- I have compiling gamess with level -O3, higher optimization -O4 and -O5 failed. I had problems in the compilation of three fiels, int2d int2f, grd2b. any suggestions?

Many thanks in advance.

Regards,

             Pablo
            pablod*fq.edu.uy
            University of Uruguay