On Thu, Sep 23, 2010, Sangita Kachhap wrote:
>
> I have installed amber11 in serial using gnu compiler for
> AmberTool1.4. But when compiling it in parallel using same and mpicc of
> Mpich2 which I have installed in my home directory it is giving follwing
> error:
>
> compilation aborted for _constants.f (code 1)
> make[1]: *** [constants.o] Error 1
We need more information about the error messages: there must have been
something before the snippet you quote above.
I think the constants.f is the first file that is compiled in a parallel
install, so there is probably something wrong with the compiler. Note that
constants.f is a fortran file, so the key quantity is mpif90, not mpicc.
What does "mpif90 -show" report?
The easiest and recommended path for parallel installations is to run the
"configure_openmpi" script in $AMBERHOME/AmberTools/src, and to use that
installation (which will automatically be in your PATH if your PATH includes
$AMBERHOME/bin). We know that this is configured correctly, and works for
all the compilers we support.
The case where this won't work is if you have a specialized interconnect (say,
infiniband) which is not supported by generic openmpi. Even then, I would
recommend using "configure_openmpi" first, so that you will have a baseline
and some experience, before trying to link to an external MPI library.
....hope this helps....dac
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Received on Thu Sep 23 2010 - 09:30:12 PDT
