AMBER Archive (2004)

Subject: AMBER: Amber8 - LAM MPI Compilation problems

From: Thomas Steinbrecher (steinbrt_at_scripps.edu)
Date: Tue Aug 10 2004 - 11:16:38 CDT

Sorry if I posted this twice, I still didn't see the message after one
hour

Dear amber users,

I am trying to compile the parallel programs of amber8
using gcc and intel fortran compilers for use with lam_mpi
version 6.5.6 on Suse Linux.

I proceed with the serial installation (using configure
ifort) as in the manual and the tests pass almost
completely (some roundoff errors).

Then I use

configure -lam ifort

to prepare for parallel installation. make install results
in this error:

sander.o: In function `MAIN__':
sander.o(.text+0x2b): undefined reference to `mpi_init_'
sander.o(.text+0x57): undefined reference to `mpi_comm_rank_'
sander.o(.text+0x7b): undefined reference to `mpi_comm_size_'
sander.o(.text+0x97): undefined reference to `mpi_barrier_'

and many more 'undefined reference' messages.
The functions named are defined in the $LAM_HOME/lib and
$LAM_HOME/include directories.

$LAM_HOME/lib is entered in my ld.so.conf file and ldconfig
was run before compiling.

Does anyone have a clue what is going wrong here?

A similar (?) problem occurs when I try to compile serial
amber with the -static option.

make serial stops with this error:

/usr/X11R6/lib/libX11.a(XlcDL.o): In function close_object':
XlcDL.o(.text+0x684): undefined reference to `dlclose'

and several more undefined reference errors. I suppose this
is more likely a problem with my library management than
with amber, but any hints on what to check next would be
highly appreciated.

Kind Regards,

Thomas

Thomas Steinbrecher
Institut fr physikalische Chemie
Albertstr. 23a
79108 Freiburg

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