CCL: gamess
- From: "Pablo A. Denis" <pablod_._fq.edu.uy>
- Subject: CCL: gamess
- 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