Re: [AMBER] PMEMD installation with gfortran

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 12 May 2010 08:41:17 -0400

On Wed, May 12, 2010 at 8:19 AM, case <case.biomaps.rutgers.edu> wrote:

> On Tue, May 11, 2010, Senthil Natesan wrote:
>
> > /lib/cpp -traditional -P -DPUBFFT -DMPI -DDIRFRC_EFS -DDIRFRC_COMTRANS
> -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
> > pmemd_lib.fpp:40: error: mpif.h: No such file or directory
>
> Note that in your earlier post, you had lines like this:
>
> /lib/cpp -traditional -P -I/usr/mpi/gcc/mvapich-1.1.0/include -DPUBFFT
> -DMPI
> ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
>
> The underlined part above is now missing; it is set up when the configure
> script asks where your MPI is located. You need to get the "-I" flag back
> in there.
>

Sorry. I told him to take that out expecting mpif90 to take care of it. Of
course, the compiler wrappers have no bearing on the preprocessor, so that
won't do much good for this line. This is the first time I noticed it was a
cpp call that was messing up, so of course mpif90 won't help here.

(I did suggest he put it back in MPI_INCLUDE in my previous email, if that
makes up for things).

All the best,
Jason


> ...good luck...dac
>
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed May 12 2010 - 06:00:07 PDT
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