RE: AMBER: sander MPI fails included tests

From: Ross Walker <>
Date: Mon, 25 Jun 2007 19:08:22 -0700

Dear Sergio,

> # Generated via command: ./configure -mpich -static ifort_x86_64
> > What did you have DO_PARALLEL set to?

I am pretty sure this is a compiler issue. Can you check what version of the
intel compiler you are using (ifort -V). I have just built this on my system
- Intel EM64T (Pentium-D) on RHEL 4.0 with ifort v9.1.039 and it passes all
tests in both serial and 2 processor MPI (mpich2 v1.0.3) .
Please first check that you have applied bugfix.all from and make clean / make parallel. If
this still fails then see if you can download a newer version of the Intel
compiler from Intel's site. This should hopefully fix the problem.
Alternatively we could try to come up with a work around but this is likely
to be much more effort than just obtaining a newer compiler.

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 Wed Jun 27 2007 - 06:07:27 PDT
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