Hi Frank,
On CentOS 4.6, there is a Gnu Fortran compiler available: /usr/bin/gfortran.
If it is not available, install the following RPMs depending on the
architecture of your systems:
gcc4-gfortran-4.1.2-14.EL4.x86_64.rpm
gcc4-gfortran-4.1.2-14.EL4.i386.rpm
libgfortran-4.1.2-14.EL4.i386.rpm
libgfortran-4.1.2-14.EL4.x86_64.rpm
Kind regards,
Peter
Dr. Peter Stauffert
Boehringer Ingelheim Pharma GmbH & Co. KG
IS Research & Patents
mailto:peter.stauffert.boehringer-ingelheim.com
-----Ursprüngliche Nachricht-----
Von: Frank Thommen [mailto:structures-it.embl-heidelberg.de]
Gesendet: Mittwoch, 8. September 2010 15:32
An: AMBER Mailing List
Betreff: Re: [AMBER] Compilation problems for amber9/parallel (aka: How to
use g77?)
Hi Jason,
>> # setenv LD_LIBRARY_PATH /usr/lib64:/usr/lib
>
> This is dangerous. You've just ripped up LD_LIBRARY_PATH.
> Furthermore, these 2 directories should already be addressed in the
> library search, I think. In any case, you should at least change this
> to
>
> setenv LD_LIBRARY_PATH /usr/lib64:/usr/lib:${LD_LIBRARY_PATH} to
> retain what you already had there.
That's no problem, as I usually don't have anything in LD_LIBRARY_PATH.
But since I can't remember why I had set LD_LIBRARY_PATH anyway, I'll
leave it away.
> The errors below show that the mpi functions can't be found in any
> library that's linked to the executable. You'll have to edit the
> config.h file to include those libraries.
>
> About g77, it cannot be used to compile amber9, since amber9 is
> Fortran90 code and requires a Fortran90 compiler to build.
Sounds logic ;-)
> Does your system have an
> mpif90? What does "mpif90 -show" reveal? If it doesn't, what does
> "mpif77 -show" reveal? If you have a valid mpif90 in your path, you
> should edit config.h and replace all instances of gfortran or g77 with
> mpif90, since that compiler should automatically link the required MPI
> libraries.
There is no mpif90 on the system.
`mpif77 --show` says:
g77 -I/usr/include -pthread -L/usr/lib64 -llammpio -llamf77mpi -lmpi
-llam -laio -laio -lutil -ldl
> Good luck!
It seems I have no luck today, but thanks anyway ;-)
frank
--
Frank Thommen - Structures IT Management and Support - EMBL Heidelberg
structures-it.embl-heidelberg.de - +49 6221 387 8353
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Received on Wed Sep 08 2010 - 07:00:07 PDT
