Thank you for the answer,<br> for sure I made the machine file according to the UG.<br>this is my .machines<br>granularity:1<br>1:localhost<br>1:localhost<br>1:localhost<br>1:localhost<br><br>then, as I mentioned testpara_lapw worked properly<br>
still you think it is the problem of machine files?<br>if yes I would real the userguide again and thanks for <br>your attention.<br><br><br><div class="gmail_quote">On Wed, Feb 29, 2012 at 3:17 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at">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">Did you make a ".machines" file ?<br>
<br>
Please read the UG.<br>
<br>
Am 29.02.2012 14:13, schrieb Saba k:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
<br>
Dear all,<br>
I use Wien2k 10.0,<br>
<br>
Mkl 10.2.5.035<br>
<br>
Ifort 11.1<br>
<br>
on OS suse11.3, cpu : Intel quad 64 bit, I don't use mpi<br>
<br>
I study a fcc bulk,<br>
<br>
It is a complex system and also spin polarized then I have lapw1c up<br>
<br>
and lapw1c dn<br>
<br>
I use the command " runsp_lapw -it -in1new 3 -cc 0.00001 -p"<br>
<br>
I compiled my Wien2k and I can run the case without parallel great<br>
<br>
but the problem happens when I have parallel run<br>
<br>
it crashes at lapw2 because it can not find case.energyup_1<br>
<br>
I checked to see what is going<br>
<br>
I checked before the run testpara_lapw : ok<br>
<br>
then<br>
<br>
I saw it makes following files<br>
<br>
<br>
case.klist_1dnlapw1_1.<u></u>defuplapw1_1.def<br>
<br>
case.klist_2dnlapw1_2.<u></u>defuplapw1_2.def<br>
<br>
case.klist_3dnlapw1_3.<u></u>defuplapw1_3.def<br>
<br>
case.klist_4dnlapw1_4.<u></u>defuplapw1_4.def<br>
<br>
but instead of making<br>
<br>
case.vectorup_1, case.vectorup_2, case.vectorup_3, case.vectorup_4; the same for dn<br>
<br>
it only makes case.vectorup & case.vectordn, later only case.energyup & case.energydn<br>
<br>
then, at the moment of lapw2 it looks for case.energyup_1 and it can not find it , so it crashes<br>
<br>
As vector files are scratch files, what do you think about my problem and how I can solve it?<br>
<br>
Thanks in advance<br>
<br>
<br>
Saba Khosh<br>
<br>
ps as I do not have a memory shared then during compile I said this option no<br>
<br>
<br>
<br>
<br>
<br></div></div>
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<br>
P.Blaha<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
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