RE: AMBER: sander MPI fails included tests

From: Ross Walker <>
Date: Thu, 28 Jun 2007 14:06:19 -0700

Hi Sergio,

> OK, I recompiled with the options you specified and still get
> the same
> error when running the change_target.ntr test. Ugh. I used the old
> compiler for this last test. The new compiler (v 10) fails
> to compile.
> Apparently the naming conventions are somehow different and
> it claims some
> functions are delared multiple times.

This is interesting, can you send me the exact specs and error messages you

I have been using: Intel(R) Fortran Compiler for applications running on
Intel(R) 64, Version 10.0 Beta Build 20070307 Package ID: l_fc_b_10.0.017
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.

on Dual by Quad core clovertown chips with mpich-vmi-2.2.0-1-intel for
infiniband, and MKL 9.0 and ./configure -mpich ifort_x86_64 and I get no
problems compiling or running any of the test cases including the targetted
MD test case.

How does your setup differ from this? What sub version of ifort 10.0 are you

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
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Received on Sun Jul 01 2007 - 06:07:25 PDT
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