Re: [AMBER] coexisting nab and nab openmp

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 29 Jan 2013 18:24:36 -0500

On Tue, Jan 29, 2013 at 6:19 PM, Scott Brozell <sbrozell.rci.rutgers.edu>wrote:

> Hi,
>
> How can one build amber12 nab with OPENMP while preserving serial nab ?
> The obvious approach failed:
> cd bin; cp *nab* serial/
> cd; configure -openmp intel; mk openmp
> cd bin; rename nab's to ...OPENMP; cp -i serial/ ..
> mk test
> make[3]: Entering directory `/usr/local/amber/amber12/AmberTools/test/nab'
> Running test to make dna duplex:
>
> /usr/local/amber/amber12/lib/libsff.a(sff.o): In function `mme2':
> sff.c:(.text+0x14ab5): undefined reference to `__kmpc_global_thread_num'
> sff.c:(.text+0x14ac5): undefined reference to `__kmpc_ok_to_fork'
>
>
> Same question for nab with ScaLAPACK ?
>

Separate Amber installations :). Or you could mirror what Dave did to
separate the MPI and serial builds inside the Makefiles.

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Jan 29 2013 - 15:30:03 PST
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