Justin Kat 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?
The "no" was in response to the parenthetical. The "make" command does not take
an argument like --program-suffix=_mpi; it is specific to the configure script.
See ./configure --help for a complete list.
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.
Those commands are correct. I will work on clarifying the online help
information.
-Justin
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>
/>/ <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> <http://vt.edu <http://vt.edu/>> | (540) 231-9080
/>/ http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin />/ />/
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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