Le 07/04/13 14:57, case a écrit :
> On Sat, Apr 06, 2013, Miguel Ortiz Lombardía wrote:
>>
>> I have compiled without apparent problems the Amber12/AmberTools12 suite
>> (including latest patches) first in serial, then parallel, the latter
>> one with:
>>
>> ./configure -mpi intel
>> make install
>>
>> The compiler is:
>> icc version 13.1.1 (gcc version 4.6.0 compatibility)
>>
>> This is a Linux machine (Ubuntu 12.04) at 64-bit.
>>
>> I then get this error after launching 'make test':
>>
>>> ==============================================================
>>> Running test to do simple lmod optimization
>>>
>>>
>>> ERROR in load_lbfgs(): YS=0.
>
> I'd suggest removing lmod_test from the "test" target at the top of
> $AMBERHOME/AmberTools/test/nab/Makefile. Do other things look OK?
>
> We have occassionally seen this error when the derivatives were incorrect, but
> I don't remember seeing this in the test case. Maybe someone else on the list
> will have a better memory.
>
> ....dac
>
>
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Hi David,
Thank you for your suggestion. Yes, other tests are OK.
I would appreciate if someone can suggest what me be wrong (if anything)
or if they know of a particular problem with these compilers/OS.
Cheers,
Miguel Ortiz Lombardía
Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
mailto:miguel.ortiz-lombardia.afmb.univ-mrs.fr
http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
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Received on Mon Apr 08 2013 - 01:30:04 PDT
