----- Original Message -----
From: "Scott Brozell" <sbrozell.scripps.edu>
To: <amber.scripps.edu>
Sent: Tuesday, May 22, 2007 7:20 PM
Subject: Re: AMBER: AMBER8 compiler with intel 9.1 compiler
> ! <compile=optimized>
> is irrelevant to non-humans.
> Try really compiling ew_fft.f with low opts:
>
> cd src/sander
> make sander
> rm ew_fft.o
> make -e FOPTFLAGS='$(FFLAGS)' ew_fft.o
> make sander
> then re-test
>
> This recipe is designed to be bullet proof to amber-builder-non-experts.
>
Followed your direction but the mdout.dhfr between the low and high opts has
no difference!!
This is what was done:
1. recompile serail with full opts
make clean
./configure ifort
make serial
then test Run.dhfr with verbose = 2, save mdout.dhfr to mdout.dhfr.opts
2. compile sander with low opts
> cd src/sander
> make sander
> rm ew_fft.o
> make -e FOPTFLAGS='$(FFLAGS)' ew_fft.o
> make sander
re-test Run.dhfr. Diffing mdout.dhfr with mdout.dhfr.opts from 1.
What next??
-peter
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Received on Sun May 27 2007 - 06:07:03 PDT
