Re: [AMBER-Developers] parallel sander QMMM tests broken?

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Tue, 16 Feb 2010 13:58:16 -0800

Hi,

By the way, can anyone make parallel successfully under src/sander?

I got this error:

-----
mpif77 -c -O0 -ffree-form -o sander.o _sander.f
_sander.f:92.75:

   use qmmm_module, only : qmmm_nml,qmmm_struct, deallocate_qmmm, qmmm_mpi,
&
                                                                           1
Error: Symbol 'qmmm_mpi_setup' referenced at (1) not found in module
'qmmm_module'
make[1]: *** [sander.o] Error 1
make: *** [parallel] Error 2
------

Thanks, 
-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> From: case <case.biomaps.rutgers.edu>
> Reply-To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> Date: Tue, 16 Feb 2010 08:35:11 -0500
> To: <amber-developers.ambermd.org>
> Subject: [AMBER-Developers] parallel sander QMMM tests broken?
> 
> For me, with the current (Feb. 16) CVS, the test.parallel.QMMM tests fail.
> Jobs get an MPI_Abort after printing "TOTAL SIZE OF NONBOND LIST".
> Mail from Kim suggests that these were working on Feb. 13 or so.
> 
> My tests were on MacOSX, gfortran 4.4.0, openmpi.  It would be of interest
> to know if others do *not* see this problem.  And, of course, debug volunteers
> are most welcome.
> 
> As an aside: I have *not* turned off any CVS access.  It is likely that things
> will continue to be "open" until about Feb. 25, but these are tentative plans.
> Please try to get your commits in as soon as possible, and please be careful.
> 
> ...thx...dac
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Received on Tue Feb 16 2010 - 14:00:02 PST
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