amber-developers: FW: test failures for QM/mm for SGI

From: Ross Walker <>
Date: Tue, 28 Mar 2006 13:59:14 -0700

-----Original Message-----
From: David A. Case []
Sent: Tuesday, March 28, 2006 10:49
To: Ross Walker
Subject: Re: test failures for QM/mm for SGI

On Mon, Mar 27, 2006, Ross Walker wrote:
> The only thing I can think is that the compiler is taking liberties with
> floating point precision.
> FFLAGS= -n32 -mips4 -r -OPT:roundoff=3:IEEE_arithmetic=3 -TENV:X=1 -O0
> FOPTFLAGS= -n32 -mips4 -r -OPT:roundoff=3:IEEE_arithmetic=3 -TENV:X=1

Removing the OPT and TENV flags seems to have done the trick with regard
not getting SCF convergence in the "built-in" codes. I've updated

Divcon is still broken on SGI_MIPS, at least with my version of the
Can anyone else test this to see if it is a problem local to my machine?
(Xiongwu: have you run "make test.sander.DIVCON" and "make

Received on Wed Apr 05 2006 - 23:49:33 PDT
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