AMBER Archive (2009)

Subject: Re: [AMBER] problem in running sander

From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Thu Mar 19 2009 - 02:17:21 CDT

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_at_gmail.com> wrote:
>> On Wed, 18 Mar 2009 07:58:04 -0700, Carlos Simmerling
>> <carlos.simmerling_at_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_at_gmail.com> wrote:
>>>>
>>>> On Wed, 18 Mar 2009 05:45:53 -0700, Per Jr. Greisen
>>>> <pgreisen_at_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
>>>>
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>>
>>
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