On Wed, Jun 07, 2006, Weihua Li wrote:
> /usr/bin/ld: skipping incompatible
> /home/ytang/gdata/whli/openmpi/lib/libmpi_f90.a when searching for -lmpi_f90
> /usr/bin/ld: cannot find -lmpi_f90
Basically, this message is saying that the mpi library files don't match the
object files from sander.
You can use the "file" command on both the libmpi_f90.a library and the object
files in the sander directory to try to track down how they are different. It
is probably a 32-bit vs. 64-bit incompatibility. Note the comment in the
configure script:
#################### Portland Compiler #####################
pgf90)
# (Note that we are forcing 32-bit compilation even on x86_64 machines;
# More testing may find a good 64-bit configuration, but we don't have
# one available at the time of the Amber 9 release.)
So, for sander, you will probably have to compile openmpi in 32-bit mode
(I think it's the "-tp p7" flag).
It's probably best to work on PMEMD first, since it *can* be compiled in
64-bit mode. (Aside: the parts of sander that are roughly equivalent to pmemd
do work in 64-bit mode with pgf90; it's the extra stuff, like QM/MM, that
fails). Make sure you really need a parallel sander before spending time
trying to compile one: if pmemd meets your needs, that's the code to use.
...good luck....dac
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Received on Sun Jun 11 2006 - 06:07:07 PDT
