On Tue, Sep 15, 2009, steinbrt.rci.rutgers.edu wrote:
> ./configure -nopar -nobintraj intel
>
> works after I remove the -DBINTRAJ flags in config.h at:
Should be fixed in CVS. But you could just go ahead and fix the configure
script.... Glitches are to be expected, since we combined two very different
configure scripts. And, why are you asking for -nobintraj in the first place?
(Nevertheless, it should work...)
> mpicc -c -DMPI -o trajectory.o trajectory.c
> trajectory.c: In function ‘dumpAmberTrajectory’:
> trajectory.c:1390: error: ‘MPI_File’ undeclared (first use in this function)
This looks like a problem with your MPI installation(?). What are you using,
e.g. what does "mpicc -show" return? Note that you cannot use the old LAM
MPI that was used in earlier versions of Amber, at least not without
reconfiguration....Anyway, I don't see your error here.
> /opt/intel/Compiler/11.0/083/lib/ia32/libifcoremt.a(for_mi_int.o): In
> function `i_dnnt':
> for_mi_int.c:(.text+0x100): multiple definition of `i_dnnt'
> /home/steinbrt/programs/amber11_new/amber11/lib/f2c.a(i_dnnt.o):i_dnnt.c:(.text+0x0):
> first defined here
This would appear to be a name clash....The cblas library has a blaswrap.h
that makes mangles all the names to prevent clashes, but there does not appear
to be any similar mechanism for f2c. If this is the only such case, then
Volodymyr's suggestion is probably the best thing to do.
...dac
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Received on Wed Sep 16 2009 - 05:00:01 PDT
