AMBER Archive (2007)Subject: RE: AMBER: sander MPI fails included tests
From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Jun 25 2007 - 21:08:22 CDT
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
http://amber.scripps.edu/bugfixes90.html 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this still fails then see if you can download a newer version of the Intel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
Ross
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|\oss Walker
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