RE: AMBER: sander MPI fails included tests

From: Ross Walker <>
Date: Thu, 28 Jun 2007 21:17:50 -0700

Hi Sergio,

> /usr/lib64/libc.a(malloc.o)(.text+0x1880): In function `free':
> : multiple definition of `free'
> /opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0
x1ea): first
> defined here

This would appear to be an issue with your mpi and compiler installation
rather than a problem specific to Amber. Have you checked to see if you can
compile even the simplest MPI program? - say hello world with MPI_Init and
MPI_Finalize included?

At the moment there appears to be a clash between the libraries the compiler
is including and the mpich libraries. Are you certain mpich was built here
using the same version of the Intel compiler? - and in x86_64 mode? Check to
see if there is a /opt/mpich/myrinet/intel/lib64 directory - you may need to
link this in instead.

You could also try removing the MPI libraries from the Loadlib line and then
changing FC=ifort to FC=mpif90 and LOAD= ifort $(LOCALFLAGS)

This might help and might link in the correct libraries.

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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Received on Sun Jul 01 2007 - 06:07:28 PDT
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