[AMBER] Inquire about AMBER10 ?

From: Xingqing Xiao <xxiao3.ncsu.edu>
Date: Tue, 9 Nov 2010 17:15:24 -0500 (EST)

    My jobs are no problems to be running in the parallel verison of
AMBER10 when using sander.MPI. But it fails in the serial version when
using sander.
    Error message is as follows:
*************************** current error ***********************
forrtl: severe (71): integer divide by zero
Image PC Routine Line Source
libvml.so 00002B9652B431DA Unknown Unknown Unknown
    I can use it all the time. But these days ago, it failed. I don't know
what is wrong with AMBER10. Could you please give me some advices?
    Attached please find our dicussions about AMBER problems. Maybe you
can find some useful information. Thanks a billion!

I'm not sure what library files you are referring to?
Only library Amber linked to other than code supplied
by Amber is the Intel Math Kernel Library (MKL).

MKL is used by quite a few applications and
individual's codes and we have not had other
complaints related to it.

I expect that contacting Amber will be a much more
authoritative source of information than searching
the internet.


On Nov 9, 2010, at 3:43 PM, Xingqing Xiao wrote:

> Dear Dr. Sills,
> No, i haven't. Because i am not sure where are the problems, or Amber
> itself, or the library file in the hpc? I will figure it out again on
> the internet. Any progress about it, i will share with you. Thanks
> very much!
> Best,
> Xiao
>> The latest patch from Amber has been applied (last week).
>> Have you reported the problem to Amber developers?

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Received on Tue Nov 09 2010 - 14:30:03 PST
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