[AMBER] PMEMD missing type? - bugfix

From: Josh Berryman <the.real.josh.berryman.gmail.com>
Date: Fri, 16 Apr 2010 15:25:01 +0200

Hello, apologies for cross-post from developer's mailing list; but I am not
a developer.

Anyway, the bug in question is where recent versions of ifc (11.1 in my
case) refuse to compile what the devs insist is perfect fortran, giving the
error message:

pme_setup.f90(415): error #6404: This name does not have a type, and must
have an explicit type. [NATOM]
  do n = 1, natom

I know that it is not the amber team's responsibility to run after every
wrinkle in what is increasingly becoming known as a pretty sloppy fortran
compiler, but for those of us who, as usual, just want a fix NOW the changes
needed to the code are:

in pme_setup.fpp:

module pme_setup_mod

  use gbl_datatypes_mod


module pme_setup_mod

  use gbl_datatypes_mod
  use prmtop_dat_mod

And also:

in prmtop_dat.fpp:

    gbl_dihed_allocsize, next_mult_fac & !26
    nub, nubtypes, & !28


    gbl_dihed_allocsize, next_mult_fac, & !26
    nub, nubtypes, & !28

inserting a single comma.

Anyway, I hope this helps someone out there

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Received on Fri Apr 16 2010 - 06:30:03 PDT
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