David A. Case wrote:
> It was after Amber9 was released that the openMPI folks changed their header
> file, to use the fortran90 include mechanism to get mpif-common.h.
> Previously, $MPI_HOME/include/mpif.h had been a simple file that could just
> be included at the cpp pre-processing step. So, the configure script above
> worked at release time, but stopped working later on (at least for me!).
>
> The simple question for Mark is this: what version of openMPI are you using?
Hi David,
In this case, I'm using openmpi-1.2.3 . I don't generally use openmpi; I
just downloaded and played a bit with it to see if I could reproduce
Francesco's issues. I used a RPM built from the SRPM from the openmpi site:
http://www.open-mpi.org/software/ompi/v1.2/downloads/openmpi-1.2.3-1.src.rpm
My base system is FC5 with all updates applied and AMBER 9 with patches
up to 17 applied.
> Can you check on what is inside your $MPI_HOME/include/mpif.h file?
/usr/include/mpif.h does have an
include 'mpif-common.h'
If I execute the following:
cd $AMBERHOME/src
export MPI_HOME=/usr
./configure -openmpi ifort_ia32
make clean ; make parallel
In the case of the sander compile, evb_init.f does have the region:
#if defined(MPI)
# include "parallel.h"
# include "mpif.h"
#endif /* MPI */
correctly expanded after passing it via cpp, but _evb_init.f does have
an (unexpanded) include 'mpif-common.h'
Interestingly my version of Ifort:
Intel(R) Fortran Compiler for 32-bit applications, Version 9.0
Build 20060222Z Package ID: l_fc_c_9.0.033
seems to somehow "automagically" resolve this:
cpp -traditional -I/usr/include -P -DMPI evb_vars.f > _evb_vars.f
ifort -c -w95 -mp1 -O0 -FR -o evb_vars.o _evb_vars.f
cpp -traditional -I/usr/include -P -DMPI evb_input.f > _evb_input.f
ifort -c -w95 -mp1 -O0 -FR -o evb_input.o _evb_input.f
If this is repeated with gfortran (gcc-gfortran-4.1.1-51.fc5), there is
an issue:
cd $AMBERHOME/src
export MPI_HOME=/usr
./configure -openmpi gfortran
make clean ; make parallel
cpp -traditional -I/usr/include -P -DMPI -xassembler-with-cpp
-Dsecond=ambsecond evb_init.f > _evb_init.f
gfortran -c -O0 -fno-second-underscore -ffree-form -o evb_init.o
_evb_init.f
Error: Can't open included file 'mpif-common.h'
In file _evb_init.f:366
<more errors>
As an aside, this can be resolved by setting
FC= gfortran -I/usr/include
in config.h
So, I agree with everything you've said. It seems like ifort has some
form of magic that makes it work with respect to includes when maybe it
should not. I do not know the reason why this is.
regards,
Mark
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Received on Sun Jul 29 2007 - 06:07:17 PDT
