I found a description of the problem I was seeing with the
mpi enabled gromacs 3.3 build on MacOS X 10.4 in the following
message...
http://gcc.gnu.org/ml/gcc/2005-06/msg00186.html
Using their suggestion, I patched gromacs as follows...
--- gromacs-3.3/src/gmxlib/Makefile.in 2005-10-11 06:36:48.000000000 -0400
+++ gromacs-3.3/src/gmxlib/Makefile.in.fixed 2005-11-17 23:14:35.000000000 -0
500
@@ -178,7 +178,7 @@
INSTALL_STRIP_PROGRAM = @INSTALL_STRIP_PROGRAM@
LDFLAGS = @LDFLAGS@
LIBOBJS = @LIBOBJS@
-LIBS = @LIBS@
+LIBS = @LIBS@ -Wl,-single_module
LIBSUFFIX = @LIBSUFFIX@
LIBTOOL = @LIBTOOL@
LN_S = @LN_S@
which causes the linkage of libgmx_mpi.4.dylib to avoid the -multi-module
default. However the lam developers may want to look carefully at the
to see if the problem can be avoided in future releases of gromacs without
resorting to this hack.
Jack
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