<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Dear wien2k users,</div><div>Could anyone please help to install k-point patallelization. I have 7 desktop with i7 processor. Can anyone send me the steps that i need to follow, i am using CentOS 5.5 for all the PCs. </div><div>Anyone, please help us to install it. </div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">Thanks in advanced..</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">regards,</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">moshi<br><div style="font-family:arial, helvetica, sans-serif;font-size:13px"><font size="2" face="Tahoma"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Peter Blaha <pblaha@theochem.tuwien.ac.at><br><b><span
style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br><b><span style="font-weight: bold;">Sent:</span></b> Thu, June 9, 2011 6:50:24 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] K-point parallel with MPI<br></font><br>
We don't know what: "even though I have my .machines file set up correctly" means ...<br><br>Check $WIENROOT/parallel_options. You should have zeros for<br><br>USE_REMOTE 1 or 0 is "active" for k-point parallelization only (not your case)<br>you will use ssh (or not) when using serial k-parallelization.<br><br>MPI_REMOTE 1 or 0 is "active" for mpi-only or mixed mpi + k-point parallelization.<br>for MPI_REMOTE=1 you would ssh to the nodes and then span an mpi job there,<br>MPI_REMOTE=0 should start the mpijob on the "master-node" and use the corresponding machines file<br> to know where the jobs are actually running.<br><br>In lapw1para there is clearly a "background" symbol & in the corresponding lines:<br><br> if ($mpiremote == 1) then<br> set
remotemachine = `head -1 .machine$p`<br> ($remote $remotemachine "cd $PWD;$t $ttt;rm -f .lock_$lockfile[$p]") >>.time1_$loop &<br> else<br> (cd $PWD;$t $ttt;rm -f .lock_$lockfile[$p]) >>.time1_$loop & <--------<br> endif<br><br>so it should start all k-point lapw1mpi jobs in parallel (with a delay of 1 second or so).<br><br>Maybe your mpi does not support running of 2 mpi-jobs at the same time and blocks the second?<br>Try it out with k-parallel only and USE_REMOTE=0<br><br>Am 09.06.2011 11:55, schrieb David Tompsett:<br>> Dear All,<br>><br>> I have a general question about installing Wien2k 11 without being able to use remote passwordless ssh.<br>><br>> In the installation that I have my sysadmin chose "yes"
to the shared memory question in siteconfig. I then have attempted running mixed k-parallel/MPI jobs. What I have found<br>> happens is that the mpirun calls for each group of k-points are issued sequentially rather than in parallel, even though I have my .machines file set up correctly.<br>><br>> Can anyone advise me as to how I can alter my installation setup so that the MPI calls for each k-point group will be called at the same time?<br>><br>> Many thanks,<br>> David Tompsett.<br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><span>> <a target="_blank" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a></span><br><br>-- <br><br>
P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<br>Email: <a ymailto="mailto:blaha@theochem.tuwien.ac.at" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a><span> WWW: <a target="_blank" href="http://info.tuwien.ac.at/theochem/">http://info.tuwien.ac.at/theochem/</a></span><br>--------------------------------------------------------------------------<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
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