AMBER Archive (2007)

Subject: Re: AMBER: Re: Amber_ifort_x86_64 test error

From: Ilya Chorny (ichorny_at_gmail.com)
Date: Sun Dec 09 2007 - 11:22:17 CST

should I even be using ifort?

On Dec 9, 2007 9:13 AM, David A. Case <case_at_scripps.edu> wrote:

> On Sun, Dec 09, 2007, Ilya Chorny wrote:
> >
> >
> > cd circ_dna; ./Run.circdna
> >
> > MKL func load error:
> > /data0/software/intel/mkl/10.0.1.014/lib/em64t/libmkl_vml_mc.so:
> undefined
> > symbol: vmlGetErrorCallBack
> > ./Run.circdna: Program error
> > make: *** [test.sander.GB] Error 1
> >
>
> Amber 9 was released before Intel had version 10 of the MKL libraries, and
> the calling sequences have been changed. Someone on the list who has
> access
> to version 10 might be able to post a bug-fix here.
>
> In the meantime, please realize the MKL has very little impact on overall
> performance, and you should probably just un-define your MKL_HOME variable
> and
> re-configure.
>
> ...dac
>
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-- 
Ilya Chorny Ph.D.

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