Re: Weird compilation problems with GA in MOLCAS 7.2


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Posted by Valera Veryazov on June 01, 2009 at 23:53:35:

In Reply to: Re: Weird compilation problems with GA in MOLCAS 7.2 posted by Serguei Patchkovskii on June 01, 2009 at 23:00:01:

> GA is so fragile that I essintially gave up trying to build it as a system-wide support library: I always end up building an application-specific copy of GA for each application which uses it.

This exactly my point :). GA is fo fragile, that it must be installed (with care!) and tested before installation of Molcas.

Thanks for a good work in finding proper installation flags for GA, but now I have a question.. Can you compare the benchmarks: your tuned version vs. 'vanilla' TCGMSG? Molcas currently uses so rare interactions between nodes...



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if B is 1s22s22p1, what is Li?

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