Re: [AMBER] Compilation problems for amber9/parallel (aka: How to use g77?)

From: Frank Thommen <structures-it.embl-heidelberg.de>
Date: Wed, 08 Sep 2010 15:32:14 +0200

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 - 07:00:03 PDT
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