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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Received on Sun Apr 07 2013 - 06:00:06 PDT
