AMBER Archive (2003)

Subject: Re: Amber7 & mpich

From: Michael Crowley (crowley_at_scripps.edu)
Date: Tue Feb 04 2003 - 11:56:22 CST

Dear Francois,

It appears that one of the following is occurring:

1) You do not have the correct path to your libs

   or

2) The symbols in your mpi lib do not match what you
   have created in your compile of sander.

You can check the second by trying

nm /usr/pgi/linux86/lib/libmpich.a | grep mpi_init

see if you get
00000000 W mpi_init_

or something like that. Whatever you get for mpi_init, should match
what the link comlains about, in your case:
_sander_.f:1247: undefined reference to `mpi_init__'

it is looking for mpi_init__
My lib has mpi_init_ (one trailing underscore) while your sander
is looking for two trailing underscores.

If your lib has one underscore, then just recompile all
of sander without the second_underscore flag.

Good luck
Mike
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Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
                 The Scripps Research Institute
                 10550 North Torrey Pines Road
                 La Jolla, California 92037

Electronic mail: crowley_at_scripps.edu
Telephone: 858/784-9290
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