[molpro-user] Testjobs

Lasse Nielsen obessal at hotmail.com
Wed Dec 19 20:03:54 GMT 2012

I have compiled Molpro 2012.1 and then run the bunch of testjobs. There are two of the testjobs that returns an error. Otherwise, both jobs have finished normally. 

First error:ERRORS DETECTED in n_uhf_fciqmc.test. Max error in energy=9.71493633D-05
and *** ERRORS DETECTED in contest_lih2_D0D1.test

1) Does this mean that my calculated results are not precise enough?? 2) What should I do to correct this? 3) Is it necessary to correct it?

Best Regards- Lasse 

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