<div dir="ltr">We have both the option but I installed it through impi. That was working fine before. I had done lot of calculation using mpi parallelisation . This error is all of sudden . Anyway I will talk to our HPC administrator regarding the issue and let you know if it works . Thank you very much for all the prompt response. <div><br></div><div>Kind Regards,</div><div>Paresh</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Sep 24, 2016 at 9:37 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Then the problem is your mpi installation. Please check with a sys admin what you are using, for instance openmpi or impi. For the different cases you need different options. This has nothing to do with the mixer.</div><div class="gmail_extra"><br><div class="gmail_quote"><span class="">On Sat, Sep 24, 2016 at 11:05 AM, Paresh Chandra Rout <span dir="ltr"><<a href="mailto:pareshchandra@iiserb.ac.in" target="_blank">pareshchandra@iiserb.ac.in</a>></span> wrote:<br></span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><span class="">
<div dir="ltr">It works without MPI . But with MPI the problem still there.</div></span><div><div class="h5"><div><div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Sat, Sep 24, 2016 at 9:14 PM, Laurence Marks <span dir="ltr">
<<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">Do you mean that with a fresh directory it works fine without mpi, fails with mpi or what?
<div><br>
</div>
<div>If it works fine without mpi, not with mpi then you have something wrong with your mpi and should talk to a sys admin to check your compilation options and what mpi to use.</div>
<div><br>
</div>
<div>This is starting to sound like you made an error in your initialization.</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote"><span>On Sat, Sep 24, 2016 at 10:24 AM, Paresh Chandra Rout
<span dir="ltr"><<a href="mailto:pareshchandra@iiserb.ac.in" target="_blank">pareshchandra@iiserb.ac.in</a>></span> wrote:<br>
</span>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">Hello Sir,
<div><br>
</div>
<span>
<div>I also tried with the new mixer but did not improve anything. I started with a fresh directory but in headnode of HPC with k-point paralleisation (i.e sequentialy) and it works fine.</div>
</span></div>
<div class="gmail_extra"><br>
<div class="gmail_quote"><span>
<div>
<div>On Sat, Sep 24, 2016 at 7:47 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
</div>
</div>
</span>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div>
<div>
<div>
<div dir="ltr">Dear Lyudmila,
<div><br>
</div>
<div>From the output files the bug appears to be something real in the current web version of the mixer, as I cannot see anything catastrophically wrong in his output files. I am trying to track it down with Paresh, there is at least one thing odd with the
HPC system he is using (it does not like the includes in W2kutils.c) so might well be a system/compiler specific issue.</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <span dir="ltr">
<<a href="mailto:lyuka17@mail.ru" target="_blank">lyuka17@mail.ru</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
24.09.2016 00:31, Paresh Chandra Rout :<br>
<br>
I cannot find in your discussion some info:<br>
1) does error repeat in sequential (not parallel) mode?<br>
2) parallel over k-points (not mpi)?<br>
3) it is when one k-point? what happens when several is taken?<br>
4) put simply in terminal the task (not in a batch mode), what is written?<br>
5) are all error files empty?<br>
<br>
To check all this, start with a fresh directory.<br>
<br>
Best wishes<br>
Lyudmila Dobysheva<br>
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