On Thu, Sep 11, 2008, Mark Williamson wrote:
>
> I think the DEBUG macro that specified via the make command is stepping
> on this logical DEBUG variable and setting its name to "1". Would it be
> possible to rename this variable to something else like DEBUGQMMM in all
> instances of its use in this section of the code:
>
> $ grep DEBUG ../dcqtp/src/qmmm/*
> ../dcqtp/src/qmmm/dcartcl.F90: LOGICAL DEBUG, FORCE, MAKEP, ANADER,
> LARGE
> ../dcqtp/src/qmmm/dcartcl.F90: SAVE CHNGE, CHNGE2, ANADER, DEBUG,
> FORCE,large
> ../dcqtp/src/qmmm/dcartcl.F90:! DEBUG = (INDEX(KEYWRD,'DCART')
> .NE. 0)
>
That's reasonable, but actually performing this change is a bit complex.
My understanding is that the "official" CVS for the dcqtp stuff is at
Florida, and that the amber11 CVS tree (periodically?) gets updated from
Florida.
So, you can't just cvs update amber11/src/dcqtp and get it to "stick".
I hope the people at QTP are reading this and can respond with their
ideas. (And, also correct what I said above, if needed).
...dac
Received on Fri Sep 12 2008 - 03:08:03 PDT
