Re: [Apbs-users] parallel version of apbs

[Nathan B. <ba...@bi...>]

Hello --

> Regarding the second question, I meant to ask how you run parallel  
> version of apbs. Do you use the same command
> $APBSHOME/bin/apbs apbs-parallel.in?

This depends on the version of MPI you used for the parallel APBS  
compilation.  For example, with MPICH, you might invoke APBS as

	mpirun -np 4 $APBSHOME/bin/apbs apbs-parallel.in

Thanks,

Nathan

> It does not sound right to me.
>
> Yongmei
>
>
>> Hello --
>>
>>> Hi, when you install the parallel version of apbs, what is the
>>> executable file name? is it same as serial apbs?
>>
>> Yes, the name should be the same as the serial version of APBS.
>>
>>> I saw an example ELEC input using mg-para; but what is the sample
>>> command file for running the apbs parallel version?
>>
>> Please see examples/actin-dimer/apbs-mol-parallel.in or
>> examples/born/ apbs-mol-parallel.in
>>
>> Thanks,
>>
>> Nathan
>>
>>
>>
>>
>>

—
Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Director, Computational and Molecular Biophysics Graduate Program
Center for Computational Biology, Washington University in St. Louis
Web: http://bakergroup.wustl.edu/