<p dir="ltr">I am not certain, but it looks like the mixer error for 12/13 is due to a format error in your case.in0. This may be incorrect, please look at what is at line 168 of your mixer.F.</p>
<p dir="ltr">In most cases where I have seen errors such as this it is because something has gone wrong earlier. Check with "cat *.error" as all theses files should be empty. Check that your case.clmval and case.clmcor are not empty and do not contain NAN. Look at the end of the case.output* files to check that the programs really worked.</p>
<p dir="ltr">___________________________<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a><br>
<a href="http://MURI4D.numis.northwestern.edu">MURI4D.numis.northwestern.edu</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</p>
<div class="gmail_quote">On Feb 24, 2015 12:19 PM, "Priyanka Seth" <<a href="mailto:priyanka.seth@polytechnique.edu">priyanka.seth@polytechnique.edu</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello all,<br>
<br>
I have been trying to run some k-point parallel calculations for some<br>
large structures and have been having problems for versions 12, 13 and<br>
14 on an ifort compilation. In all cases, I am running on the same<br>
number of cores as k vectors. Note that calculations begun from the same<br>
input and run on a single core calculation run without any problems.<br>
<br>
v12/v13<br>
=====<br>
<br>
This is the output for versions 12 and 13 (I've removed the<br>
node-dependent lines):<br>
<br>
LAPW0 END<br>
LAPW1 END<br>
LAPW2 - FERMI; weighs written<br>
LAPW2 END<br>
SUMPARA END<br>
CORE END<br>
forrtl: severe (59): list-directed I/O syntax error, unit -5, file<br>
Internal List-Directed Read<br>
Image PC Routine Line Source<br>
mixer 000000000051693D Unknown Unknown Unknown<br>
mixer 0000000000515445 Unknown Unknown Unknown<br>
mixer 00000000004BC9E0 Unknown Unknown Unknown<br>
mixer 000000000046F4BA Unknown Unknown Unknown<br>
mixer 000000000046ECB0 Unknown Unknown Unknown<br>
mixer 0000000000492B76 Unknown Unknown Unknown<br>
mixer 000000000049043B Unknown Unknown Unknown<br>
mixer 0000000000407E7E MAIN__ 168 mixer.F<br>
mixer 000000000040414C Unknown Unknown Unknown<br>
libc.so.6 00000037C241D994 Unknown Unknown Unknown<br>
mixer 0000000000403FC9 Unknown Unknown Unknown<br>
<br>
> stop error<br>
<br>
Looking at the error files, I have "Error in MIXER" in both versions.<br>
<br>
The dayfile ends as follows:<br>
1.884u 0.844s 0:09.73 27.9% 0+0k 0+0io 8pf+0w<br>
> lcore (09:33:51) 0.046u 0.007s 0:00.14 28.5% 0+0k 0+0io 7pf+0w<br>
> mixer (09:33:51) 0.000u 0.005s 0:00.04 0.0% 0+0k 0+0io 8pf+0w<br>
error: command /home/pseth/SOURCES/WIEN2K_v13/mixer mixer.def failed<br>
<br>
> stop error<br>
<br>
<br>
v14<br>
===<br>
<br>
I get to the second cycle, but then the calculation crashes with "Error<br>
in LAPW1" in lapw1_*.error:<br>
<br>
LAPW2 END<br>
SUMPARA END<br>
CORE END<br>
MIXER END<br>
ec cc and fc_conv 0 0 1<br>
in cycle 2 ETEST: 0 CTEST: 0<br>
LAPW0 END<br>
<br>
There is nothing obviously wrong looking at the case.scf1_* files or at<br>
the dayfile which ends like this:<br>
<br>
> lapw1 -p (09:37:40) starting parallel lapw1 at Tue Feb<br>
10 09:37:40 CET 2015<br>
-> starting parallel LAPW1 jobs at Tue Feb 10 09:37:40 CET 2015<br>
running LAPW1 in parallel mode (using .machines)<br>
24 number_of_parallel_jobs<br>
[1] 30405<br>
[2] 30437<br>
[3] 30471<br>
[4] 30507<br>
[5] 30559<br>
[6] 30606<br>
[7] 30653<br>
[8] 30717<br>
[9] 30809<br>
[10] 30916<br>
[11] 31000<br>
[12] 31070<br>
[13] 31192<br>
[14] 31329<br>
[15] 31428<br>
[16] 31504<br>
[17] 31664<br>
[18] 31788<br>
[19] 31871<br>
[20] 31900<br>
[21] 31928<br>
[22] 31956<br>
[23] 31982<br>
[24] 32010<br>
[5] Done ( ( $remote $machine[$p] ...<br>
<br>
<br>
I understand that this is not much information to go on, but I don't<br>
really know where else to look! Has anyone had similar issues? What else<br>
would help in diagnosing the problem?<br>
<br>
Many thanks,<br>
Priyanka<br>
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</blockquote></div>