Re: [AMBER-Developers] mpif77 & Fortran 90

From: Lachele Foley <lfoley.ccrc.uga.edu>
Date: Wed, 24 Feb 2010 15:19:56 -0500

I see. I think I can fix this with a symlink.

I had to install an updated gfortran a while back to get certain bits of amber to install at all, so I can't just reset my path or everything else will break. And... see below.

First off, mpif77 -showme is actually mpif77 -show on my system. Because it can't ever be easy... Sigh.

byron:installer>mpif77 -show
g77 -L/opt/gm/lib64 -L/opt/gm/lib -I/scratch2/programs/mpich2-1.2.1/include -L/scratch2/programs/mpich2-1.2.1/lib -L/scratch2/programs/mpich2-1.2.1/lib -lmpich -lopa -lpthread -lrt

byron:installer>mpif90 -show
gfortran -L/opt/gm/lib64 -L/opt/gm/lib -I/scratch2/programs/mpich2-1.2.1/include -I/scratch2/programs/mpich2-1.2.1/include -L/scratch2/programs/mpich2-1.2.1/lib -L/scratch2/programs/mpich2-1.2.1/lib -lmpichf90 -lmpichf90 -lmpich -lopa -lpthread -lrt

However, and this is important:

byron:installer>which g77
/usr/bin/g77
byron:installer>which gfortran
/usr/local/bin/gfortran
byron:installer>ls /usr/bin/gfortran
/usr/bin/gfortran
byron:installer>ls /usr/local/bin/g77
ls: /usr/local/bin/g77: No such file or directory

So, I'll retry with a normal config file and a symlink from /usr/local/bin/g77 to /usr/local/bin/gfortran.

At home, that's the default:

lf.macha ~> ls -l /usr/bin/g77
lrwxrwxrwx 1 root root 8 2009-06-08 07:45 /usr/bin/g77 -> gfortran

Thanks!

:-) Lachele

--
B. Lachele Foley, PhD '92,'02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
706-542-0263
lfoley.ccrc.uga.edu
----- Original Message -----
From: case
[mailto:case.biomaps.rutgers.edu]
To: AMBER Developers Mailing List
[mailto:amber-developers.ambermd.org]
Sent: Wed, 24 Feb 2010 14:45:24
-0500
Subject: Re: [AMBER-Developers] mpif77 & Fortran 90
> On Wed, Feb 24, 2010, Lachele Foley wrote:
> 
> > Trying to make parallel.  Get many complaints like below.  Fixes, so
> > far anyway, if I change config.h auto-generated FC=mpif77 to FC=mpif90.
> > (ia64 if relevant) Not sure where to fix or if it will cause trouble
> > elsewhere.
> 
> Which version of mpi?  What does "mpif77 -showme" report?  What about
> "mpif90 -showme"?  How did you configure the MPI?
> 
> Here's the deal.  There are two things that might require f90 support:
> One is just to compile ordinary (non-mpi) code; somehow you seem to have
> an mpif77 that doesn't call an f90 compiler; for me, I get something like
> this:
> 
> poincare% mpif77 -showme
> gfortran -I/home/case/amber11/include -L/home/case/amber11/lib -lmpi_f77
> -lmpi
> -lopen-rte -lopen-pal -lutil
> 
> which is fine.
> 
> The second aspect is whether or not you need f90 bindings to MPI itself.
> Amber doesn't use these, and we can set things like "--disable-mpi-f90" when
> configuring openmpi.  Thus, I get things like this:
> 
> poincare% mpif90 -showme
> --------------------------------------------------------------------------
> Unfortunately, this installation of Open MPI was not compiled with
> Fortran 90 support.  As such, the mpif90 compiler is non-functional.
> --------------------------------------------------------------------------
> 
> 
> So, we can't just replace mpif77 with mpif90 in config.h, because that would
> make things fail for most folk.  We(you) need to figure out what compiler
> your mpif77 is calling, and why.  Then we need to update the installation
> instructions to tell people how to avoid this problem.
> 
> ...dac
> 
> 
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Received on Wed Feb 24 2010 - 12:30:03 PST