AMBER Archive (2007)

Subject: Re: AMBER: Re: Amber_ifort_x86_64 test error

From: David A. Case (case_at_scripps.edu)
Date: Sun Dec 09 2007 - 11:13:00 CST

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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