AMBER Archive (2009)

Subject: Re: [AMBER] array out of bound in Amber10 tests

• Previous message: Gustavo Seabra: "Re: [AMBER] Any link to a major QM code?"
• In reply to: Carlos Simmerling: "Re: [AMBER] array out of bound in Amber10 tests"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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_at_hal.physast.uga.edu>
>wrote:
>>
>> optimization (-O) and still got wrong results for this test. Now,
>

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: Gustavo Seabra: "Re: [AMBER] Any link to a major QM code?"
• In reply to: Carlos Simmerling: "Re: [AMBER] array out of bound in Amber10 tests"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]