I have tried to compile Gaussian03 on our Opteron machines running under
SuSE SLES 9 using pgf version 5.2-4. While PGI 5.2-x is the supported
compiler suite according to gaussian.com webpages the build scripts of
our g03 version still contain 5.1 pathnames. I fixed this and Gaussian
seemed to compile without errors. However, the resulting binaries
segfault after just a few lines of output:
Entering Gaussian System, Link 0=g03
Initial command:
/usr/product/gaussian64/g03/l1.exe
/home/gwdg/GWDG/cboehme1/test/g03tests/Gau-28741.inp -scrdir=/ho
me/gwdg/GWDG/cboehme1/test/g03tests/
I looked at the strace and seemingly l1.exe segfaults for no obvious
reasons.