Re: [AMBER] error in parallel amber 11 installation

From: David A Case <>
Date: Wed, 25 Apr 2012 08:22:04 -0400

On Wed, Apr 25, 2012, Asmita Gupta wrote:

> I have run all the bugfixes as well as ./ by hand. Also
> installation of serial version was successfull.
> The configuration command was:
> ./configure -mpi gnu
> which mpif90 gives this:
> /opt/mpich2-1.4.1p1/gcc/bin/mpif90. (so is it still a compiler problem??)

Yes: it is almost certainly a compiler problem (see below).
> mpif90 -c -O3 -ffree-form -o constants.o _constants.f
> ifort: command line warning #10006: ignoring unknown option '-ffree-form'
> _constants.f(89): error #5149: Illegal character in statement label field
> [m]
> module constants
> ^

Your mpif90 program is calling ifort (the Intel compiler), but you configured
amber with the gnu compilers. Your MPI installation must use the same
compiler as you used for configure. So you can configure with intel, or
change your MPI. One recommended way to do the latter is to use the
configure_mpich2 script in $AMBERHOME/AmberTools/src.


AMBER mailing list
Received on Wed Apr 25 2012 - 05:30:06 PDT
Custom Search