Re: [AMBER] problem in running sander

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Thu, 19 Mar 2009 07:17:21 +0000

Respected Sir,

Here i am attaching the test results , there are some errors in
mdout.tip5P, gcg.dip.o, nc_headers, first.pdb or run ambpdb. These test
results are attached in the above file. How can i remove these errors???

With Best regards....
Kshatresh
> it sounds like you might have a typo in your input. compare carefully
> to the test cases that pass, and remove things one at a time from the
> mdin until you find one that causes problems.
>
>
>
> On Mon, Jun 30, 2008 at 4:27 PM, kshatresh <kshatresh.gmail.com> wrote:
>> On Wed, 18 Mar 2009 07:58:04 -0700, Carlos Simmerling
>> <carlos.simmerling.gmail.com> wrote:
>> Respected Sir,
>> Thanks for response it is my own but as a test.During the installation
>> it
>> passed all the error. This error comes just starting of sander. It is
>> also
>> writting an error ' At line 1314 of file  _ew_box.f. When I am enquiring
>> about this file in amber10/src/sander/_ew_box_f , i am unable to
>> identify
>> the error because there is a complete file.
>>
>> Thanks once again with hope of help.
>>
>> regards..
>> Kshatresh
>>>
>>> more information please- is this in a test case, or your own? if your
>>> own, did the tests all pass? is it when sander starts and is reading
>>> the input file, or after some time of running?
>>>
>>> On Mon, Jun 30, 2008 at 3:33 PM, kshatresh <kshatresh.gmail.com> wrote:
>>>>
>>>> On Wed, 18 Mar 2009 05:45:53 -0700, Per Jr. Greisen
>>>> <pgreisen.gmail.com>
>>>> wrote:
>>>>
>>>> Hi,
>>>>
>>>> I am using amber 10,when I am running sander it is giving a error
>>>> like "
>>>> Fortran runtime error : Bad value during integer read"
>>>>
>>>> But when i am running same input on amber 9 of other system it is
>>>> running
>>>> without any error.
>>>>
>>>> Please help me to overcome this problem because i have to run the job
>>>> on
>>>> amber 10.
>>>>
>>>> Thanks in advance.
>>>>
>>>> Regards
>>>>
>>>> Kshatresh Dutta Dubey
>>>> DDU Gorakhpur University,
>>>> U.P, India
>>>>
>>>> _______________________________________________
>>>> AMBER mailing list
>>>> AMBER.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
>> --
>> Using Opera's revolutionary e-mail client: http://www.opera.com/mail/
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
Using Opera's revolutionary e-mail client: http://www.opera.com/mail/




Received on Fri Mar 20 2009 - 01:13:20 PDT
Custom Search