AMBER Archive (2006)

Subject: RE: AMBER: Error in compiling Amber 8 parallel

From: Ross Walker (
Date: Thu Sep 28 2006 - 10:36:25 CDT

Dear Jianhui,

> I am compiling Amber8 parallel with lam-7.1.2 library.
> After compile a serial version first, I fired
> cd $AMBERHOME/src
> make clean
> ./configure -lam ifort
> make parallel
> and got the error message:
> egb.o(.text+0x1f1b): In function `genborn_mp_egb_':
> : undefined reference to `mpi_allreduce_'
> egb.o(.text+0x2c72): In function `genborn_mp_egb_':
> : undefined reference to `mpi_allreduce_'

This is almost certainly because your implementation of lam was compiled
with a different compiler to the one you are using to compile amber. Likely
Lam was compiled with g77 and you are using ifort for amber. Get hold of the
source code for lam and build it yourself specifying ifort as the fortran 77
and fortran 90 compiler. Then make sure this directory is first in your path
(so you pick up the correct mpf77 and mpirun) and set LAMHOME to point to
this directory.

Then make sure you do a make clean in the amber source directory and then
try compiling it again.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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