Hello,
The configure files are probably out of date for the current versions
of the compilers, so you may have to modify the config.h file created
by the configure script.
On Thu, Feb 11, 2010 at 6:56 PM, Dian Jiao <oscarjiao.gmail.com> wrote:
> Hi,
>
> I am having trouble compiling PMEMD (v9) on a cluster.
>
> After loading the compiler module (intel) and mpi module (mvapich2), I did
> "make" to compile it.
>
> When I used ifort 9.1, the error msg was:
>
> error: IPO link: can not find -lmtl_common.
If you get errors like this, simply remove that flag from the config.h
file wherever it occurs and retry (no need to make clean after these
changes, the compile will pick up where it left off), though have a
look at my suggestions below.
>
> However if I change it to ifort 10.1, I got a different error:
>
> libmpich.so undefined reference to aio_read64/aio_error64/aio_write64..
Your cluster should have appropriate compiler wrappers that will
correctly link the mpi libraries, specifically mpif90 (or mpif77) for
Fortran 90 code. If you haven't already, change all instances of
"ifort" to "mpif90" in the config.h file. One thing you'll want to
make sure of, though, is that the mpif90 you're using in config.h
wraps the proper compiler you're trying to use (the command "mpif90
-show" will display the invoked compiler with all linked libraries).
This can become slightly messy if the system you're trying to build on
has a jumbled mess of different MPI/compiler combinations, however, so
some caution should be taken.
>
> I did on some other supercomputers before, it never failed.
>
> Has anyone seen this before?
>
> Thanks in advance.
>
> Dian
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>
Good luck!
Jason
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Feb 11 2010 - 18:30:03 PST
