./configure --enable-mpi --program-suffix=_mpi make mdrun make install-mdrun make links
Sorry for the random asterisk* symbols they must have came through from some formatting. On Wed, Jan 26, 2011 at 12:53 PM, Justin Kat <justin....@mail.mcgill.ca>wrote: > Thank you, I have been to that page probably a good 100 times by now. > > Was the 'No.' response with regards to my primary question? Or to the one > within the parentheses? > > > Suppose I remove my existing installation and reinstall, I am hoping to > figure out when/where exactly should I specify --program-suffix=_mpi so as to > not overwrite the pre-existing serial mdrun as I have mistakenly done so with > my current installation. > > > > *./configure --enable-mpi --program-suffix=_mpi > **make mdrun > **make install-mdrun > **make links* > > Lastly, if the above set of commands are incorrect, or will not carry out > what I intend (to build a separate mdrun_mpi executable apart from the > existing mdrun after a normal build), I am kindly requesting for a suitable > revision. > > > > > Thanks, > Justin > > > On 26/01/2011 8:50 AM, Justin Kat wrote: > >* Alright. So meaning I should have instead issued: > *>* > *>* ./configure --enable-mpi --program-suffix=_mpi > > > *>* make mdrun > *>* make install-mdrun > *>* make links > *>* > *>* to have installed an MPI-enabled executable called mdrun_mpi apart > *>* from the existing mdrun executable? (Would I also need to append the > > > > *>* _mpi suffix when issuing the first two make and make install commands > *>* above? > * > No. See http://www.gromacs.org/Downloads/Installation_Instructions > > > > > Mark > > >* > *>* Thanks, > *>* Justin > *>* > *>* On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <jalemkul at vt.edu > <http://lists.gromacs.org/mailman/listinfo/gmx-users> > > > > * > - Show quoted text - > >* <mailto:jalemkul at vt.edu > ><http://lists.gromacs.org/mailman/listinfo/gmx-users>>> wrote: > > *>* > *>* > *>* > *>* Justin Kat wrote: > > *>* > Thank you for the reply! > > *>* > > *>* > hmm mdrun_mpi does not appear in the list of executables in > > *>* > /usr/local/gromacs/bin (and well therefore not in /usr/local/bin). > *>* > > > > *>* > Which set of installation commands that I used should have > *>* compiled the > > *>* > mdrun_mpi executable? And how should I go about getting the > *>* mdrun_mpi > > > *>* > executable at this point? > *>* > > *>* > *>* I see it now. When you configured with --enable-mpi, you didn't > > *>* specify > *>* --program-suffix=_mpi, so the installation procedure over-wrote > > > *>* your existing > *>* (serial) mdrun with an MPI-enabled one simply called "mdrun." The > > *>* configure > *>* output should have warned you about this. You could, in theory, > > > *>* simply re-name > *>* your existing executable "mdrun_mpi" and then re-install a serial > > *>* mdrun, if you > *>* need it. > *>* > *>* -Justin > > > *>* > *>* -- > *>* ======================================== > *>* > > *>* Justin A. Lemkul > *>* Ph.D. Candidate > *>* ICTAS Doctoral Scholar > > > *>* MILES-IGERT Trainee > *>* Department of Biochemistry > *>* Virginia Tech > > *>* Blacksburg, VA > * > >* jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080 > > > * > >* http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > *>* > *>* ======================================== > > > > *>* -- > * > >* gmx-users mailing list gmx-users at gromacs.org > ><http://lists.gromacs.org/mailman/listinfo/gmx-users> > *>* <mailto:gmx-users at gromacs.org > <http://lists.gromacs.org/mailman/listinfo/gmx-users>> > > > > * > >* http://lists.gromacs.org/mailman/listinfo/gmx-users > *>* Please search the archive at > *>* http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > > *>* Please don't post (un)subscribe requests to the list. Use the > > * > >* www interface or send it to gmx-users-request at gromacs.org > ><http://lists.gromacs.org/mailman/listinfo/gmx-users> > > > *>* <mailto:gmx-users-request at gromacs.org > <http://lists.gromacs.org/mailman/listinfo/gmx-users>>. > > * > >* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > *>* > *>* > * > >
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