On Wed, Feb 24, 2010 at 3:19 PM, Lachele Foley <lfoley.ccrc.uga.edu> wrote:
> 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
Is there a reason you can't rebuild your MPI? I was running into a
similar problem earlier trying to configure mpich2 with the intel
compilers. Just running ./configure; make; make install caused the
configure script to pick ifort for the f90 compiler, but it picked
gfortran as the f77 compiler since ifort is technically just f90 (so
mpif77 failed for amber since it was using the intel flags :)). I got
around this by setting env. variables F77=ifort, F90=ifort, FC=ifort,
CC=icc (to cover all my bases, FC was probably unnecessary). Is this
unnecessary? I just think it's possible that a symbolic link that
makes gfortran pretend to be g77 may have unanticipated
consequences... but maybe not.
>
> 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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>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
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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 Feb 24 2010 - 12:30:04 PST
