AMBER Archive (2008)

Subject: Re: AMBER: A problem of installing Amber10

From: Harry Ni (edycni_at_gmail.com)
Date: Fri Jun 06 2008 - 14:00:19 CDT

Hi David,

I executed ifortvars.sh for my bash shell and leave out the '-static'
argument to configure,
but the errors still exist which are like the followings:

(with many 'undefined reference to' sentences before)
qm2_dftb_fermi.o: In function `fermi_.L':
_qm2_dftb_fermi.f:(.text+0x4e4): undefined reference to `vmldExp2'
_qm2_dftb_fermi.f:(.text+0x553): undefined reference to `vmldExp2'
_qm2_dftb_fermi.f:(.text+0x5be): undefined reference to `vmldExp2'
qm2_dftb_fermi.o: In function `fermi_.J':
_qm2_dftb_fermi.f:(.text+0xcdc): undefined reference to `vmldExp2'
_qm2_dftb_fermi.f:(.text+0xd4b): undefined reference to `vmldExp2'
qm2_dftb_fermi.o:_qm2_dftb_fermi.f:(.text+0xdbe): more undefined references
to `vmldExp2' follow
ifort: error: Fatal error in ld, terminated by segmentation violation
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/usr/local/amber10/src/sander'
make: *** [serial] Error 2

On Thu, Jun 5, 2008 at 3:13 PM, David A. Case <case_at_scripps.edu> wrote:

> 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
>
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