Re: Is molcas72 compilable under new ga-4-1?


[ Molcas user's WWWBoard ]

Posted by Valera on December 02, 2008 at 18:06:12:

In Reply to: Re: Is molcas72 compilable under new ga-4-1? posted by Evgeniy on December 02, 2008 at 17:13:44:

: May I wonder what compilers are certificated with Molcas72?
I am taking my words back. I thought that ifort 10.1 has been released after molcas 7.2.
But according to our page http://www.molcas.org/hardware.html
it should be supported.
However, it is quite common for Intel, that they make 'minor' changes in the compiler
(inside one major version), but this change breaks many things..


: Concerning reproducing the problem with g77 or gfortran its problematic as I cannot compile workable ga-4-1 with none of them :(.

I didn't try (yet) ga-4.1, but with beta version of ga-4.1 - I can't remember any problems. You have to wait, or submit a bug report to PNNL.

: Regarding the new realease of Molcas to be compilable under ga-4-1, will the changes mostly concern the molcas code or the GA code wich is provided with (inside) the Molcas distributive? Thanks!

That I don't know - since we didn't started to test Molcas with ga-4.1. If you have an input which fails I would advice you to submit a bug report with input, platform, compilation flags etc.

Valera.



Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]