AMBER Archive (2009)
Subject: Re: [AMBER] problem in running sander
From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Mar 18 2009 - 10:51:07 CDT
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.
>> 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>
>>> 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.
>>> Kshatresh Dutta Dubey
>>> DDU Gorakhpur University,
>>> U.P, India
>>> AMBER mailing list
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