Re: [AMBER] [PATCH 4/8] sqm: Fix OpenMP build

From: Ross Walker <>
Date: Tue, 23 Oct 2012 10:00:36 -0700

>> Hence the reason why most of this code is protected by #ifdef OPENMP and
>> thus it is not surprising turning on the blanket inclusion of OMP flags
>> the compiler results in a bunch of undefined references. You have to
>> specify #ifdef OPENMP as well. Note though that this will get you an
>> executable (hopefully) but there are then new qmmm name list flags and
>> way one runs the code is subtly different. Thus if you want to use it
>> experiment please do (note if you are linking to MKL you might have to
>> careful with that to get the right version of the MKL library for openMP
>> code). But it shouldn't be on in the normal configure.
>As I noted in other mail, I am using -DOPENMP, so the code in
>ifdefs is compiled, the code is just not cerrect enought to

Yeah it's probably not been tested since I left TSRI in 2006. :-(

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Tue Oct 23 2012 - 10:30:03 PDT
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