Re: [AMBER] AmberTools 1.4 serial tests failures

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Fri, 03 Dec 2010 16:32:49 +0100

You're right, thanks !!
I did not know about this !

Vlad

On 12/03/2010 04:08 PM, David Watson wrote:
> >From my experience with Intel, you can visit the support site for your account and download older versions of the compilers/MKL.
> Take a look and see if you have the same option.
>
> On Dec 3, 2010, at 9:01 AM, Vlad Cojocaru wrote:
>
>
>> Dan,
>>
>> Of course, you are right .. I would love to use other version of intel,
>> but I just have this version ... I am on a position at an experimental
>> institute and I had to start from scratch and setup everything ...
>>
>>> From my previous experience, I gained about 20 % performance intel
>>>
>> versus gnu ... So I decided to purchase the intel compiler (first time
>> at my institute)...
>>
>> Tthey delivered me this new version . .... Not much choice ... :-(
>>
>> I guess I'll stick to GCC for a while even if the code will be slower ....
>>
>> Vlad
>>
>> On 12/03/2010 03:48 PM, Daniel Roe wrote:
>>
>>> Hi,
>>>
>>> It's not really certain what the causes for the errors are yet.
>>> However, other people have reported various issues when using the
>>> intel 12.0.0 compilers. In my opinion it's probably not worth the
>>> headache to use a bleeding edge compiler, particularly when other
>>> compilers have no issues. It's just my opinion, but I'd wait until
>>> intel comes out with a few more releases of the v12 compilers before I
>>> start relying on them.
>>>
>>> -Dan
>>>
>>> On Fri, Dec 3, 2010 at 9:27 AM, Vlad Cojocaru
>>> <vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>>>
>>>
>>>> Dear Ambers,
>>>>
>>>> Attached you have 2 files: (i) the config.h file I used to compile the
>>>> serial version of Amber Tools 1.4 and (ii) the error messages upon 'make
>>>> test'
>>>>
>>>> Several tests fail with error mesages. These errors only occur when I
>>>> compile with intel 12.0.0 (with MKL 10.3). They are segmentation faults!
>>>>
>>>> The compilation worked properly. Also, when compiling with gcc44, there
>>>> are no error messages for the serial tests.
>>>>
>>>> Did anybody experienced these errors and could tell me the cause for them ?
>>>>
>>>> Details:
>>>> Linux x86_64 (2x 6 cores AMD Istanbul chips)
>>>> CentOS 5.5
>>>> compiler: intel-12.0.0
>>>> mkl libs: 10.3
>>>>
>>>>
>>>> Best
>>>> Vlad
>>>>
>>>> --
>>>> Dr. Vlad Cojocaru
>>>> Max Planck Institute for Molecular Biomedicine
>>>> Department of Cellular and Developmental Biology
>>>> Roentgenstrasse 20
>>>> 48149 Muenster, Germany
>>>> tel: +49-251-70365-324
>>>> fax: +49-251-70365-399
>>>> email: vlad.cojocaru[at]mpi-muenster.mpg.de
>>>>
>>>>
>>>>
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>>>>
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>> --
>> Dr. Vlad Cojocaru
>> Max Planck Institute for Molecular Biomedicine
>> Department of Cellular and Developmental Biology
>> Roentgenstrasse 20
>> 48149 Muenster, Germany
>> tel: +49-251-70365-324
>> fax: +49-251-70365-399
>> email: vlad.cojocaru[at]mpi-muenster.mpg.de
>>
>>
>>
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-- 
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cellular and Developmental Biology
Roentgenstrasse 20
48149 Muenster, Germany
tel: +49-251-70365-324
fax: +49-251-70365-399
email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Fri Dec 03 2010 - 08:00:02 PST
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