[gmx-users] GROMACS installation for parallel run

Justin A. Lemkul jalemkul at vt.edu
Sat Aug 29 22:31:01 CEST 2009

George Tsigaridas wrote:
> Hi people
> Do you have any suggestions on what options to use in the configure 
> command when installing GROMACS for parallel run? Is it possible to 
> change these options at a later time?

Besides --enable-mpi?  If you want any specifics for your particular system, 
you'll have to describe what you're working with.  And no, you can't go back and 
change things without completely re-installing Gromacs.  Once the binaries are 
built, they're built based on the options you specified.


> Thank you in advance
> George
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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