Re: [AMBER-Developers] PMEMD missing type?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 9 Mar 2010 12:01:55 -0500

This appears to be a problem only with intel compilers. With a fresh CVS
checkout I get this issue as well with intel compilers v11.1

cpp -traditional -P -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS
-DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT pme_setup.fpp pme_setup.f90
ifort -fast -c pme_setup.f90
pme_setup.f90(417): error #6404: This name does not have a type, and must
have an explicit type. [NATOM]
  do n = 1, natom
------------^

This happens with both the new Makefile.amber and the old
Makefile/configure. I don't have this problem with the gnu 4.1.2 compilers.

It's strange because prmtop_dat_mod.mod is compiled, present and has the
natom variable, and in vdw_correct_setup there is a "use prmtop_dat_mod".
Very strange.

-Dan

On Fri, Mar 5, 2010 at 5:29 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Ben,
>
> >From a clean checkout I do:
>
> cd amber11/src
> ./configure intel
> cd pmemd/
> make -f Makefile.amber
>
> This works fine for me. As does the make serial target - except for the
> fact
> that the pbsa dependencies are messed up right now since it assumes
> Makefile_at compiled it already instead of having the dependencies for
> sander being set correctly.
>
> Are you sure your CVS tree is not corrupt? Can you try checking out a new
> tree?
>
> All the best
> Ross
>
> > -----Original Message-----
> > From: amber-developers-bounces.ambermd.org [mailto:amber-developers-
> > bounces.ambermd.org] On Behalf Of Ben Roberts
> > Sent: Friday, March 05, 2010 11:59 AM
> > To: AMBER Developers Mailing List
> > Subject: [AMBER-Developers] PMEMD missing type?
> >
> > Hi all,
> >
> > When running a "make serial", I got the following response, which
> > appears (based on where pme_setup.f90 may be found) to be a PMEMD
> > error.
> >
> > I suppose this problem represents a missing variable declaration, but
> > didn't necessarily want to mess with PMEMD (as distinct from Sander)
> > myself. However, perhaps I've missed something. Thoughts?
> >
> > Cheers,
> > Ben
> >
> > PS. I'm using the Intel Mac compilers, version 11.1.084.
> >
> > ifort -fast -c pme_alltasks_setup.f90
> > ifort -fast -c runmin.f90
> > ifort -fast -c pme_setup.f90
> > ifort -fast -c master_setup.f90
> > ifort -fast -c charmm_gold.f90
> > pme_setup.f90(415): error #6404: This name does not have a type, and
> > must have an explicit type. [NATOM]
> > do n = 1, natom
> > ------------^
> > compilation aborted for pme_setup.f90 (code 1)
> > make[2]: *** [pme_setup.o] Error 1
> > make[2]: *** Waiting for unfinished jobs....
> > make[1]: *** [install] Error 2
> > make: *** [serial] Error 2
> >
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
>
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Received on Tue Mar 09 2010 - 09:30:02 PST
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