amber-developers: gfortran and Amber 9

From: David A. Case <case.scripps.edu>
Date: Wed, 9 Nov 2005 16:46:50 -0700

We are getting a little closer with gfortran and Amber 9:

nmode compiles and passes all tests

sander compiles and passes many tests, but (on Pentium IV):

     the "findmask" routine doesn't get the right atoms in the targetted
MD
       case
     the code segfaults on tests that involve minimization

These errors *may* be indicating some problem with our code, but they may
also
be gfortran bugs (of which there have been many).

It's not a high priority to track these down, but if somebody does, that
would
be great. The "configure" script can now take gfortran as one of the
allowed
compilers -- this might be turned off for release if we can't fix this.

[I used a self-built gcc-4.0.2. If anyone has a really modern Linux
distro,
like FC4(?), you might see what that compiler gives.]

...dac
Received on Wed Apr 05 2006 - 23:49:50 PDT
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