AMBER Archive (2008)

Subject: Re: AMBER: A problem of installing Amber10

From: David A. Case (
Date: Thu Jun 05 2008 - 14:13:16 CDT

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.


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