Re: amber-developers: Configure script for MacOS X with IBMXLF/XLC

From: MengJuei Hsieh <>
Date: Thu, 18 Mar 2004 16:18:29 -0700

on 3/18/04 10:43 AM, David A. Case at wrote:
> On Wed, Mar 17, 2004, MengJuei Hsieh wrote:
>> The attached new patch file is just a new version, this should work
>> ptraj and any arpack related program.
>> If any of you want to compile g5 specific program, remember to change
>> -qarch=auto -qtune=auto
>> To
>> -qarch=g5 -qtune=g5
> Thanks very much! I've committed the patch to the amber9 tree. After a
> while for others to test, we (or you) could post this to the amber list,
> we can also put it on to the Web site.
> Do you have any benchmark timings we could report?
> ...regards...dac

Hi Dr. Case,

I only have my slow powerbook G4, the benchmark on it is pretty
and my only benchmark done on G5 was using AMBER 7 in

So far we are trying to borrow a G5 from Apple for benchmarking, hopefully
can get some sweet results from it.

By the way, just FYI, I just found that the binaries generate by this IBM
compiler give exit number 8 instead of 0, so the test scripts will always
goto error routine. We need to manually run ../dacdif file

Mengjuei Hsieh, Luo group, Molecular Biology and Biochemistry, University
California Irvine. Tel: 49562, Address: 3144 Natural Science I building.
Group Homepage:
Received on Wed Apr 05 2006 - 23:50:03 PDT
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