How to define Proccessor number in Molcas 7.6

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Posted by Saumik Sen on February 23, 2012 at 13:08:27:

In Reply to: MCLR divergence problem with McKinley and Alaska module posted by Lukas F. Pasteka on February 16, 2010 at 12:59:24:

Hello,

I want to know how to define number of processors in Molcas 7.6 software. As I am doing calculation on some big molecules, it would be highly helpful to me.

Another question is when I am running Mckinley in Molcas with SCF orbitals(RHF) then it is showing convergence problem. Similar things occur in MCLR program. Can anyone please help me.

Thanks,

Regards,
Saumik


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