On Tue, May 19, 2015, Dan Roe wrote:
>
> possible FAILURE: check mdout.sander.OIN.MPI.dif
> /home/droe/Amber/GIT/amber/test/sander_OIN_MPI
> 58c58
> < gb_gamma_cnu = 0.6863, gb_beta_nnu = 0.4631,
> gb_gamma_nnu = 0.1387
> > gb_alpha_nnu = 0.6863, gb_beta_nnu = 0.4631, gb_gamma_nnu = 0.1387
>
What compiler/OS are you using? Is this a real diff or a fake one? Maybe
related to using the "-t" option to dacdif? Can you manually check
the two files involved, mdout.sander.OIN.MPI and mdout.sander.OIN.MPI.save?
...thanks!....dac
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Received on Tue May 19 2015 - 13:30:03 PDT
