Dear Prof. Blaha, Prof. Marks and All Wien2k users,<div><br></div><div>Thank you very much for reply. I have given the more detail of my system as you required:</div><div><br></div><div><font color="#ff0000">1. <span style="background-color:rgb(255,255,255);font-family:arial,sans-serif;font-size:13.333333969116211px">What kind of system do you have ??</span></font></div>
<div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px"><br></span></div><div> We have <span style="font-family:Arial,Verdana,Helvetica,sans-serif;font-size:11px;background-color:rgb(255,255,255)">HP ProLiant DL380 G7</span> (8 servers) with 2 processors each. So we have 16 processors and the total memory is shared by all the processors. </div>
<div><br></div><div>2. <span style="background-color:rgb(255,255,255);font-family:arial,sans-serif;font-size:13.333333969116211px"><font color="#ff0000">sh ??? What did you specify in siteconfig when configuring the parallel environment ??? </font></span><span style="background-color:rgb(255,255,255);font-family:arial,sans-serif;font-size:13.333333969116211px"><font color="#ff0000">shared memory or non-shared memory ??</font></span></div>
<div> </div><div> During the site configuration, I have used shared memory architecture.</div><div><br></div><div>3. <span style="background-color:rgb(255,255,255);font-family:arial,sans-serif;font-size:13.333333969116211px"><b><font color="#ff0000">are your nodes really called "cpu1", ...</font></b></span></div>
<div><span style="background-color:rgb(255,255,255);font-family:arial,sans-serif;font-size:13.333333969116211px"><b><font color="#ff0000"><br></font></b></span></div><div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px"> I have used the 'top' command on terminal, it gives the performance of all the processors. It gives the name of each processor as cpu1, cpu2, cpu3,........ so I have taken it as such.</span></div>
<div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px"><br></span></div><div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px">Please suggest me the correct .machines file or any other solution to solve this problem.</span></div>
<div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px"><br></span></div><div><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13.333333969116211px">With kind regards,</span></div>
<div><br><div class="gmail_quote">On Thu, Jul 26, 2012 at 2:25 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
You seem to have several errors in your basic installation:<div class="im"><br>
<br>
> setenv USE_REMOTE 0<br>
> setenv MPI_REMOTE 0<br>
<br></div><div class="im">
> [arya:01254] filem:rsh: copy(): Error: File type unknown<br>
<br></div>
rsh ??? What did you specify in siteconfig when configuring the parallel environment ???<br>
<br>
shared memory or non-shared memory ??<br>
ssh or rsh ?? (most likely rsh will not work on most systems)<br>
<br>
What kind of system do you have ??<br>
<br>
a) Is it ONE computer with many cores (typically some SGI or IBM-power machines, or a SINGLE Computer<br>
with 2-4 Xeon-quadcore processors), or<br>
b) a "cluster" (connected via Infiniband) of several (Xeon multicore) nodes<br>
<br>
Only a) is a "shared memory machine" and you can set USE_REMOTE to 0<br>
<br>
Another problem might be your .machines file:<br>
are your nodes really called "cpu1", ...<br>
<br>
This implies more or less that you have a cluster of single-core machines ???<br>
<br>
My guess is that you have a 16 core shared memory machine ???<br>
In this case, the .machines file must always contain the same "correct" machine name<br>
(or maybe "localhost"), but not cpu1,2....<br>
<br>
<br>
Am <a href="tel:26.07.2012%2010" value="+12607201210" target="_blank">26.07.2012 10</a>:17, schrieb alpa dashora:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
Dear Wien2k Users and Prof. Marks,<br>
<br>
Thankyou very much for your reply. I am giving more information.<br>
Wien2k Version: Wien2k_11.1 on a 8 processor server each has two nodes.<br>
mkl library: 10.0.1.014<br>
openmpi: 1.3<br>
fftw: 2.1.5<br>
<br>
My OPTION file is as follows:<br>
<br>
current:FOPT:-FR -O3 -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -l/opt/openmpi/include<br>
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -traceback<br></div>
current:LDFLAGS:-L/root/<u></u>WIEN2k_11/SRC_lib -L/opt/intel/cmkl/<a href="http://10.0.1.014/lib/em64t" target="_blank">10.0.1.014/<u></u>lib/em64t</a> <<a href="http://10.0.1.014/lib/em64t" target="_blank">http://10.0.1.014/lib/em64t</a>> -lmkl_em64t -lmkl_blacs_openmpi_lp64 -lmkl_solver -lguide -lpthread<br>
-i-static<br>
current:DPARALLEL:'-DParallel'<br>
current:R_LIBS:-L/opt/intel/<u></u>cmkl/<a href="http://10.0.1.014/lib/em64t" target="_blank">10.0.1.014/lib/em64t</a> <<a href="http://10.0.1.014/lib/em64t" target="_blank">http://10.0.1.014/lib/em64t</a>> -lmkl_scalapack_lp64 -lmkl_solver_lp64_sequential -Wl,--start-group -lmkl_intel_lp64<div class="im">
<br>
-lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -Wl,--end-group -lpthread -lm -L/opt/openmpi/1.3/lib/ -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl<br>
-Wl,--export-dynamic -lnsl -lutil -limf -L/opt/fftw-2.1.5/lib/lib/ -lfftw_mpi -lrfftw_mpi -lfftw -lrfftw<br></div>
current:RP_LIBS:-L/opt/intel/<u></u>cmkl/<a href="http://10.0.1.014/lib/em64t" target="_blank">10.0.1.014/lib/em64t</a> <<a href="http://10.0.1.014/lib/em64t" target="_blank">http://10.0.1.014/lib/em64t</a>> -lmkl_scalapack_lp64 -lmkl_solver_lp64_sequential -Wl,--start-group -lmkl_intel_lp64<div>
<div class="h5"><br>
-lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -Wl,--end-group -lpthread -lm -L/opt/openmpi/1.3/lib/ -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl<br>
-Wl,--export-dynamic -lnsl -lutil -limf -L/opt/fftw-2.1.5/lib/lib/ -lfftw_mpi -lrfftw_mpi -lfftw -lrfftw<br>
current:MPIRUN:/opt/openmpi/1.<u></u>3/bin/mpirun -v -n _NP_ _EXEC_<br>
<br>
My parallel_option file is as follows:<br>
<br>
setenv USE_REMOTE 0<br>
setenv MPI_REMOTE 0<br>
setenv WIEN_GRANULARITY 1<br>
setenv WIEN_MPIRUN "/opt/openmpi/1.3/bin/mpirun -v -n _NP_ -machinefile _HOSTS_ _EXEC_"<br>
<br>
On the compilation no error message was received and all the executable files are generated. I have edited parallel_option file, so now the error message is changed and it is as<br>
follows:<br>
<br>
[arya:01254] filem:rsh: copy(): Error: File type unknown<br>
ssh: cpu1: Name or service not known<br>
<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
A daemon (pid 9385) died unexpectedly with status 255 while attempting<br>
to launch so we are aborting.<br>
<br>
There may be more information reported by the environment (see above).<br>
<br>
This may be because the daemon was unable to find all the needed shared<br>
libraries on the remote node. You may set your LD_LIBRARY_PATH to have the<br>
location of the shared libraries on the remote nodes and this will<br>
automatically be forwarded to the remote nodes.<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
mpirun noticed that the job aborted, but has no info as to the process<br>
that caused that situation.<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
ssh: cpu2: Name or service not known<br>
<br>
ssh: cpu3: Name or service not known<br>
<br>
ssh: cpu4: Name or service not known<br>
<br>
mpirun: clean termination accomplished<br>
<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
LAPW1 - Error<br>
<br>
I have used the following .machines file for 16 k-points:<br>
<br>
granularity:1<br>
1:cpu1<br>
1:cpu2<br>
1:cpu3<br>
1:cpu4<br>
1:cpu5<br>
1:cpu6<br>
1:cpu7<br>
1:cpu8<br>
1:cpu9<br>
1:cpu10<br>
1:cpu11<br>
1:cpu12<br>
1:cpu13<br>
1:cpu14<br>
1:cpu15<br>
1:cpu16<br>
extrafine:1<br>
lapw0: cpu1:1 cpu2:1 cpu3:1 cpu4:1<br>
<br>
Please any one suggest me the solution of this problem.<br>
<br>
With kind regards,<br>
<br>
<br></div></div><div class="im">
On Mon, Jul 23, 2012 at 4:50 PM, Laurence Marks <<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a> <mailto:<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.<u></u>edu</a>>> wrote:<br>
<br>
You probably have an incorrect MPIRUN environmental parameter. You have not provided enough information, and need to do a bit more analysis yourself.<br>
<br>
---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br></div>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <<a href="http://www.numis.northwestern.edu" target="_blank">http://www.numis.<u></u>northwestern.edu</a>> <a href="tel:1-847-491-3996" value="+18474913996" target="_blank">1-847-491-3996</a><div class="im">
<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
<br></div><div class="im">
On Jul 23, 2012 6:17 AM, "alpa dashora" <<a href="mailto:dashoralpa@gmail.com" target="_blank">dashoralpa@gmail.com</a> <mailto:<a href="mailto:dashoralpa@gmail.com" target="_blank">dashoralpa@gmail.com</a>>> wrote:<br>
<br>
Dear Wien2k Users,<br>
<br>
I recently installed Wien2k with openmpi on 16 processor server. Installation was completed without any compilation error. While running the run_lapw -p command, I<br>
received the following error:<br>
------------------------------<u></u>------------------------------<u></u>------------------------------<u></u>------------------------------<u></u>------<br>
<br>
mpirun was unable to launch the specified application as it could not find an executable:<br>
<br>
Executable:-4<br>
Node: arya<br>
<br>
while attempting to start process rank 0.<br>
------------------------------<u></u>------------------------------<u></u>------------------------------<u></u>------------------------------<u></u>-------<br>
<br>
Kindly suggest me the solution.<br>
mpirun is available in /opt/openmpi/1.3/bin<br>
<br>
Thank you in advance.<br>
<br>
Regards,<br>
<br>
--<br>
Dr. Alpa Dashora<br>
<br>
<br>
______________________________<u></u>_________________<br>
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<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.<u></u>at</a> <mailto:<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.<u></u>tuwien.ac.at</a>><div class="im">
<br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.<u></u>ac.at/mailman/listinfo/wien</a><br>
<br>
<br>
<br>
<br>
--<br>
Alpa Dashora<br>
<br>
<br>
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<br>
</div></blockquote><span class="HOEnZb"><font color="#888888">
<br>
-- <br>
<br>
P.Blaha<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: <a href="tel:%2B43-1-58801-165300" value="+43158801165300" target="_blank">+43-1-58801-165300</a> FAX: <a href="tel:%2B43-1-58801-165982" value="+43158801165982" target="_blank">+43-1-58801-165982</a><br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/<u></u>theochem/</a><br>
------------------------------<u></u>------------------------------<u></u>--------------</font></span><div class="HOEnZb"><div class="h5"><br>
______________________________<u></u>_________________<br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>Alpa Dashora<br>
</div>