Amber 8 was released before G95 so we never tested it with g95 so yes
there are lots of problems. Amber 9 can and will compile cleanly with G95
since we regularly test this now.
All the best
Ross
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
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From: owner-amber-developers.scripps.edu
[mailto:owner-amber-developers.scripps.edu] On Behalf Of Xuebin Qiao
Sent: Tuesday, November 01, 2005 08:52
To: amber-developers.scripps.edu
Subject: amber-developers: Incompat. amber8 code failed in test when
compiled with g95.
Today, I tested the compiled amber8 code under freebsd with gcc+g95. Some
testes failed when "make test", e.g. Anal, pbsa and nmode. A common
failure is throw fortran runtime error, "Expected CHARACTER in item X, and
got INTEGER". This error is due to widely use of incompatible old fortran
dialect, i.e. use integer array to store character type value, or output
integer with character type format spec. And it is not supported by g95
(and possibly gfortran).
It can be confirmed by patch the pbsa source. However, since this kind of
incompat. code appears in many places, I finally gave up to patch them.
Hope this buggy style may be dropped by code writers in the future.
qxb
Received on Wed Apr 05 2006 - 23:49:51 PDT
