mpi opteron myrinet

From: Damon Smith (
Date: Thu Dec 30 2004 - 22:23:09 CST

Hi all,

Sorry for this really long email, but as the subject suggests, I had a
go at compiling namd 2.5 on opteron with mpich 1.2.6 and myrinet, using
gcc 3.4. I haven't found good docs on this, I've only seen docs for
net-linux with amd64 and mpi, but no myrinet.

A lot of the C++ code in charm++ and namd won't compile because of
gcc3.4's changes to the way templates work, but it's a simple fix, I can
post a patch if anyone is interested. The details on the gcc problem
are here:
(it won't break the code for old compilers either)

Once I got past that, and a lot more mucking around, it's hard to work
out what to do. Charm++ won't compile with:
mpi-linux opteron gm

It gets the following error:
Fatal Error by charmc in
directory /home/san02/damon/tmp/charm-5.8/mpi-linux-gm-opteron/tmp
   Command mpicc -rdynamic -o ../lib_so/ -shared
convcore.o conv-conds.o queueing.o msgmgr.o cpm.o cpthreads.o futures.o
cldb.o topology.o random.o debug-conv.o generate.o edgelist.o conv-ccs.o
ccs-builtins.o traceCore.o traceCoreCommon.o converseProjections.o
machineProjections.o quiescence.o isomalloc.o global-nop.o returned
error code 1
charmc exiting...
make[2]: *** [../lib/libconv-core.a] Error 1

but it will compile with just
mpi-linux gm

and then namd doesn't appear to have an option for amd64 or opteron with
mpi and myrinet. So I modified the i686-gm-mpi to use -march=opteron,
and it compiles ok, but gets a linker error:

collect2: ld returned 1 exit status
Fatal Error by charmc in
directory /home/san02/damon/tmp/NAMD_2.5_Source/Linux-i686-MPI
   Command mpiCC -rdynamic -O3 -march=opteron -ffast-math -static
-I/home/san02/damon/tmp/charm-5.8/mpi-linux-gm/include -o namd2
-I/home/san02/damon/tmp/charm-5.8/mpi-linux-gm/bin/../include /home/san02/damon/tmp/charm-5.8/mpi-linux-gm/bin/../lib/libldb-rand.o obj/buildinfo.o obj/common.o obj/dcdlib.o obj/erf.o obj/main.o
obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o moduleinit.o
-lmodulecommlib /home/san02/damon/tmp/charm-5.8/mpi-linux-gm/bin/../lib/libmemory-default.o /home/san02/damon/tmp/charm-5.8/mpi-linux-gm/bin/../lib/libthreads-default.o -lck -lconv-cplus-y -lconv-core -lconv-util -lm -lckqt -lpmpich -lgm -lpthread -ldl -lz -lsrfftw -lsfftw -lmolfile_plugin -lm -lmoduleNeighborLB -lmodulecommlib returned error code 1
charmc exiting...

So that's where I give up. Those linker errors tell me nothing useful.
Has anyone, anywhere got namd to compile with gcc, on opteron, using mpi
and myrinet? If so how??

I maybe should try getting the latest version of charm from CVS, as it
appears to have changes to the amd64 code as of 6 days ago.



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