Re: [AMBER-Developers] near-final testing

From: <>
Date: Tue, 13 Apr 2010 10:18:22 -0400 (EDT)

Hi everyone,

the Apr08 tarballs (if still relevant?) compile and run fine for me under
fedora11, x86_64 (Intel Quadcore 2.66GHz), intel compiler suite 11.1.059,
with openmpi-1.4.1

with three roundoffs in parallel evb tests and failure of the tip5p case
both serial and parallel.

One small problem that I see is this:

After downloading and making openmpi, I did configure -mpi intel. This
failed netcdf config because the newly made mpi libs, while in
$AMBERHOME/lib are not in my $LD_LIBRARY_PATH and I had to add them

Obviously I overlooked the small hint to do so at the end of the
comfigure_openmpi script's epic level of output. Is this not something
that everyone will have to do anyway? I vote to make this message bigger
and add a line about it to the manual.

To a certain extent, this is pampering users that dont read output unless
it's in CAPS and says ERROR!!!, but I believe its something not hard to

Kind Regards,


Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Tue Apr 13 2010 - 07:30:06 PDT
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