Re: [AMBER-Developers] Compiling problem with a fresh checkout

From: Ben Roberts <>
Date: Thu, 22 Oct 2009 11:45:07 -0400

Hi Xiongwu,

First, I'll admit to being stumped by this complaint. However, there are
a few things that occur to me.

If you're compiling in parallel, you're probably using "mpif77" or
"mpif90" instead of "gfortran". Are you sure your MPI compiler is a link
to the same compiler as you used for the serial compilation? You should
be able to find out by, for example,

mpif77 -v
mpif90 -v

and comparing the output to that of "gfortran -v", etc.

Another option is to make sure lists of dependencies are properly generated:

cd sander && make depend

A third, which I've sometimes found useful, is to make sure I'm getting
a clean set of source code: removing all old object files, preprocessed
fortran files (_*.f) and other files that aren't part of the CVS tree.
Then I start over with a clean build.

These are things that _may help; but other people will probably come up
with better suggestions. Good luck!

The other thing is, it may be helpful to post the first error message in
your group of messages, instead of the last ones. I wonder whether what
you're seeing is a syntax error early on, which manifests in a lot of
bizarre ways later thanks to run-on statements etc.


Wu, Xiongwu (NIH/NHLBI) [E] wrote:
> Hi Ben,
> Thanks for helping. I am using lam-7.1.3 coming with AMBER11:
> At lam-7.1.3:
> ./configure --prefix=$(AMBERHOME)
> make
> make install
> Then at $(AMBERHOME)/src
> ./configure gnu
> make -f Makefile_at clean
> make -f Makefile_at
> make clean
> make serial
> ./configure -mpi gnu
> make -f Makefile_at clean
> make -f Makefile_at parallel
> make clean
> make parallel
> (error messages)
> ........
> ........
> Fortran 90 feature at (^) unsupported
> _constants.f:228:
> end module constants
> ^
> Invalid form for END statement at (^)
> _constants.f:93:
> double precision, parameter :: TEN_TO_MINUS2 = 1.0d-2
> ^
> End of source file before end of block started at (^)
> mpif77: No such file or directory
> make[1]: *** [constants.o] Error 1
> make[1]: Leaving directory `/v/bigbox6/home/wxw/ambers/amber11/src/sander'
> make: *** [parallel] Error 2
> I hope you can give me a hint how to solve this problem. I have done 'cvs update'
> Thanks!
> Xiongwu

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Received on Thu Oct 22 2009 - 09:00:03 PDT
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