AMBER Archive (2006)

Subject: AMBER: amber9 parralel compiling

From: Nikola Trbovic (nt2146_at_columbia.edu)
Date: Thu Nov 30 2006 - 10:31:22 CST

Hello everyone,

I just obtained amber9 and the serial programs compiled without any
difficulties - sander is running as I type. But for some reason I cannot
get the parallel compilation to run. I have LAM/MPI 7.1.2 installed
under its standard directory in /usr/local and have defined MPI_HOME
to /usr/local. I did 'make clean' after serial compilation, configured
with -lam g95 and when I make I get all these errors concerning
undefined references to mpi functions, for example:

qm2_scf.o(.text+0x4e0): In function `qm2_scf_':
: undefined reference to `mpi_allreduce_'

I tried all sorts of things, like recompiling LAM with g95 or with
shared libraries, or adding /usr/local/lib to LD_LIBRARY_PATH, but I
still get the same error. The weird thing is also that gromacs compiles
without problems with the same LAM installation on the same machine.
Does anybody have a suggestion on how to fix this?

Many thanks in advance,

Nikola Trbovic

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