AMBER: Amber 7 - bugfix 42 problem.

From: Bengt Svensson <>
Date: Wed, 17 Sep 2003 20:21:08 -0500

After applying the bugfix 42: 'parallel sander minimization with shakemay
not shake all waters' sander will not run the test.sander tip4p and tip5p.
I get s SIGSEGV error (See below). This happens with both g77 and pgf77 on
a Scyld Linux cluster.

The cluster is 4 dual AMD Athlon MP 2600+ (total 8 cpu), 2GB memory
per node, with gigabit ethernet connection.
It is running Scyld 28cz5.1 (Based off RedHat 7.1?), gcc 2.96, pgf77
5.0-2, and mpich 1.2.3.

I also have problems with the same tests on cygwin, gcc 3.2 and mpich_NT.

What is causing this problem? Did the patch break the code? It worked fine
before applying the patch 'bugfix 42'.

Any suggestions?


        Bengt Svensson

cd tip4p; ./Run.tip4p

p0_25319: p4_error: interrupt SIGSEGV: 11
p1_25321: p4_error: interrupt SIGSEGV: 11
  Program error
make: *** [test.sander] Error 1

  Dr. Bengt Svensson
  University Of Minnesota e-mail:
  Dept. of Medicinal Chemistry tel: +1-612-626-4429
  8-101 Weaver-Densford Hall fax: +1-612-626-4429
  308 Harvard St. SE
  Minneapolis, MN 55455
  USA Visiting addr: 7-125D Weaver-Densford Hall

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Received on Thu Sep 18 2003 - 02:53:02 PDT
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