Thank you, Dr Simmerling.
That was spot on. I compiled remd.f with optimization turned
off and the other files with -O3 -qstrict, and all tests in
test.parallel.MM, test.parallel.QMMM, and test.parallel.EVB
passed.
Thank you very much, I really appreciate your kind help.
Regards,
Shan-Ho
On Fri, 13 Feb 2009, Carlos Simmerling wrote:
> I would suggest remd.f as the first one to try.
>
>
> On Wed, Feb 11, 2009 at 5:24 PM, Shan-ho Tsai <tsai.hal.physast.uga.edu>
>wrote:
>>
>> optimization (-O) and still got wrong results for this test. Now,
>
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Received on Wed Feb 18 2009 - 01:11:01 PST
