Re: [AMBER-Developers] pmemd.gem

From: David A Case <david.case.rutgers.edu>
Date: Thu, 12 Apr 2018 07:42:09 -0400

On Wed, Apr 11, 2018, Scott Brozell wrote:
>
>
> It is fixed by adding -mkl=sequential to the link command, but
> at the wiki DAC wrote that it was built with
> ./configure -noX11 -gem -mkl intel
> version 17.0.4

I lied...fixed the source code, (after RC5 was sent out)
so that -DMKL doesn't affect gem. I
think this is more in line with what Bob wants than changing the link
command.

....dac


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Received on Thu Apr 12 2018 - 05:00:03 PDT
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