Just to say that indeed the compilation with intel compiler 11.1.073
worked flawlessly (as long as the -shared-intel flag was added to the
linker ..
In the parallel tests, I still have a small number of errors related to
EVB but these I had with AMBER 10 and I will ignore them ...
Best
Vlad
On 12/03/2010 04:32 PM, Vlad Cojocaru wrote:
> 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
>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>> _______________________________________________
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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
>>>
>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>>
>> _______________________________________________
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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 Sat Dec 04 2010 - 06:00:03 PST
