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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