compiler questions on rs/6000

Stuart McNicholas sjm at
Mon May 15 19:39:58 BST 2000

Dear Professor Alexander,
  This I agree is slightly worrying. We have an SP here in Birmingham on
which we are successfully running molpro2000. Each node is running AIX
4.3.3 and the program was compiled with xlf 6.1. This seems similar to
your setup, even though the underlying machinery might be slightly
different. The program also ran on AIX 4.3.2, and has been known to work
on much older versions of AIX. 

One thought - are you using a system blas library? It could be that you
are using the wrong one, since AIX installs various ones for different
architectures. For instance there is a choice of -lessl (correct for our
machine) or -lesslp2 (incorrect for our machine) on our system. You
could try building the program with molpro's own built in blas routines.
If the blas library is not the problem, then I will have to think again. 

Stuart McNIcholas

millard alexander wrote:
> i have installed molpro2000 on several rs/6000 397 machines
> running aix 4.2 and xlf 3.2
> when i try a similar install on my 43P/260 which is running
> aix 4.3 and xlf 6.1 the code compiles and links, but does not
> run, crashing during the integral calculations.
> any suggestions?
> --
> Millard Alexander, Distinguished University Professor
> Department of Chemistry and Biochemistry
> University of Maryland, College Park, MD 20742-2021
> tel:  1.301.405.1823     fax:  1.301.314.9121
> email:  mha at
> www:

More information about the Molpro-user mailing list