Dear L. Marks<br>thanks a lot for the answer. Let's to my comments<br><br><div class="gmail_quote">2011/12/27 Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">It is hard to know as you have not provided us with enough<br>
information, so we can only guess. Most likely is that you have setup<br>
the problem wrong, for instance bad RMTs, bad case.in1c or other. Read<br>
the file lapw1.error to see if it has anything, and also the various<br>
output files. Beyond this:<br></blockquote><div> </div><div>The setup is correct because I can run wien in sequential version<br> <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<br>
a) Did you compile the mpi versions? If not, then what you are using<br>
will not work. There are two ways to run Wien2k in parallel, one uses<br>
mpi and is needed for big jobs, the other does not use mpi and is<br>
often simpler for small jobs.<br></blockquote><div><br>Yes, I am using wien2k10.1. I tried to compile wien2k11 but I got some errors in lapw2(c)_mpi compilation, so I gave up<br> <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
b) Edit parallel_options and put "setenv debug 1" in (remove it later)<br>
then do "x lapw1 -p" from the terminal. This will give you more<br>
output.<br></blockquote><div><br>I did, it seems ok but runnig in single mode. Please, see the output below <br></div><div> </div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
c) Check that you have ssh enabled to the compute nodes (I don't think<br>
you need the .local at the end)<br></blockquote><div><br>My ssh is working. I can log on the nodes of my cluster. <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<br>
A comment. You have setup your .machines file to run 5 tasks for<br>
lapw1, each using 4 cpu's. Some mpi versions are not smart and with<br>
what you have will run both tasks on compute-0-0 using the same cores.<br></blockquote>granularity:1<br>1:<a href="http://bodesking.uefs.br:1">bodesking.uefs.br:1</a><br>1:<a href="http://bodesking.uefs.br:1">bodesking.uefs.br:1</a><br>
1:compute-0-0.local:1<br>1:compute-0-0.local:1<br>1:compute-0-0.local:1<br>1:compute-0-0.local:1<br>1:compute-0-1.local:1<br>1:compute-0-1.local:1<br>1:compute-0-1.local:1<br>1:compute-0-1.local:1<br><br>with this file if I type run_lapw -p I get 11 processes for lapw1, and 2 in all computers listed but not lapw1_mpi or lapw2_mpi. This is the point: how can I setup .machines in order to run wien2k with mpi libraries. Below you can see the config of parallel_options file<br>
<br>setenv USE_REMOTE 1<br>setenv MPI_REMOTE 1<br>setenv WIEN_GRANULARITY 1<br>setenv WIEN_MPIRUN "mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_"<br><br><br>------------------------------The output of x lapw0 -p and x lapw1 -p<br>
[nilton@bodesking case]$ x lapw0 -p<br>starting parallel lapw0 at Wed Dec 28 18:29:26 BRT 2011<br>-------- .machine0 : processors<br>running lapw0 in single mode<br> LAPW0 END<br>14.599u 0.400s 0:15.01 99.8% 0+0k 0+0io 0pf+0w<br>
[nilton@bodesking case]$ x lapw1 -p<br>starting parallel lapw1 at Wed Dec 28 18:29:46 BRT 2011<br>-> starting parallel LAPW1 jobs at Wed Dec 28 18:29:46 BRT 2011<br>running LAPW1 in parallel mode (using .machines)<br>
10 number_of_parallel_jobs<br>[1] 11587<br>[2] 11724<br>[3] 11856<br>[4] 11887<br>[5] 11917<br>[6] 11944<br>[7] 11976<br>[8] 12002<br>[9] 12033<br> LAPW1 END<br>[1] Done ( ( $remote $machine[$p] ...<br>
[1] 12066<br> LAPW1 END<br>[2] Done ( ( $remote $machine[$p] ...<br>[2] 12108<br> LAPW1 END<br>[3] Done ( ( $remote $machine[$p] ...<br>[3] 12249<br> LAPW1 END<br>
[4] Done ( ( $remote $machine[$p] ...<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br>[3] Done ( ( $remote $machine[$p] ...<br>
[2] + Done ( ( $remote $machine[$p] ...<br>[1] + Done ( ( $remote $machine[$p] ...<br>[9] + Done ( ( $remote $machine[$p] ...<br>[8] + Done ( ( $remote $machine[$p] ...<br>
[7] + Done ( ( $remote $machine[$p] ...<br>[6] + Done ( ( $remote $machine[$p] ...<br>[5] + Done ( ( $remote $machine[$p] ...<br> <a href="http://bodesking.uefs.br">bodesking.uefs.br</a>(3) 7.766u 0.476s 8.26 99.76% 0+0k 0+0io 0pf+0w<br>
<a href="http://bodesking.uefs.br">bodesking.uefs.br</a>(3) 7.916u 0.225s 8.18 99.46% 0+0k 0+0io 0pf+0w<br> compute-0-0.local(3) 8.529u 0.300s 8.92 98.97% 0+0k 0+0io 0pf+0w<br> compute-0-0.local(3) 8.899u 0.185s 9.2 98.74% 0+0k 0+0io 0pf+0w<br>
compute-0-0.local(3) 8.640u 0.260s 9.00 98.82% 0+0k 0+0io 0pf+0w<br> compute-0-0.local(3) 8.335u 0.249s 8.90 96.35% 0+0k 0+0io 0pf+0w<br> compute-0-1.local(3) 10.687u 0.250s 11.08 98.69% 0+0k 0+0io 0pf+0w<br>
compute-0-1.local(3) 10.632u 0.294s 11.03 98.99% 0+0k 0+0io 0pf+0w<br> compute-0-1.local(3) 10.708u 0.206s 11.07 98.51% 0+0k 0+0io 0pf+0w<br> compute-0-1.local(3) 10.573u 0.310s 11.18 97.27% 0+0k 0+0io 0pf+0w<br>
<a href="http://bodesking.uefs.br">bodesking.uefs.br</a>(3) 7.794u 0.343s 8.19 99.35% 0+0k 0+0io 0pf+0w<br> <a href="http://bodesking.uefs.br">bodesking.uefs.br</a>(3) 8.336u 0.209s 8.59 99.48% 0+0k 0+0io 0pf+0w<br>
Summary of lapw1para:<br> <a href="http://bodesking.uefs.br">bodesking.uefs.br</a> k=12 user=31.812 wallclock=2391.25<br> compute-0-0.local k=12 user=34.403 wallclock=2554.08<br> compute-0-1.local k=12 user=42.6 wallclock=3055.06<br>
0.272u 0.446s 0:22.32 3.1% 0+0k 0+0io 0pf+0w<br><br><br>Nilton<br></div>-- <br>Nilton S. Dantas<br>Universidade Estadual de Feira de Santana<br>Departamento de Ciências Exatas<br>Área de Informática<br>Av. Transnordestina, S/N, Bairro Novo Horizonte<br>
CEP 44036900 - Feira de Santana, Bahia, Brasil<br>Tel./Fax +55 75 31618086<br><a href="http://www.uefs.br/portal" target="_blank">http://www2.ecomp.uefs.br/</a><br><br>