On Thu, Jun 05, 2008, Harry Ni wrote:
>
> Also, I have tried to put -nobintraj as an argument to configure_amber, but
> there are some new errors:
>
> With many 'undefined reference to' sentences before, such as
> "_qm2_dftb_fermi.f:(.text+0xcdc): undefined reference to `vmldExp2' ",
The qm2_dftb_fermi function only has one call to exp(), and it looks like
the compiler is trying to optimize that into a vectorized loop, but then not
finding the correct things to link in. Be sure that you have executed the
proper ifortvars script. Also, leave out the "-static" argument to configure:
the needed libraries might only be available as shared.
Also, this *might* be an MKL problem. If you are trying to use MKL libraries,
try leaving them out.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Jun 08 2008 - 06:07:40 PDT
