<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">the shell script is not able to make mathematical operations, so if you write <div>ecutrho=$ecut*8</div><div>then it just replaces $ecut with current value, whereas the input file should contain something like</div><div>ecutrho=180</div><div>(so no mathematical operations, just value!).</div><div><br></div><div>You must use mathematical commands, like bc :</div><div><br></div><div>ecutrho=`echo $ecut*8 | bc -l`</div><div><br></div><div>be careful with `, it is different from ‘ </div><div><br></div><div>Giovanni</div><div><br></div><div><br><div><div>On 15 Jul 2014, at 09:45, siddheshwar chopra <<a href="mailto:sidhusai@gmail.com">sidhusai@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><div><div><div><div><div>Dear Sir,<br></div>Yes I too had the same doubt that ecutrho syntax must be a problem. Thanks for the help Sir.<br></div>Actually I am using a script file to run for different "ecutrho" values.<br>
<br>ecutrho=$ecut*8;<br></div>and then ecutrho=$ecutrho inside &system<br><br></div>Could you tell me what wrong I am doing here?<br><br></div>Regards,<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">
On Tue, Jul 15, 2014 at 11:47 AM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:paolo.giannozzi@uniud.it" target="_blank">paolo.giannozzi@uniud.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Syntax "ecutrho=8*20" is not allowed in a namelist<br>
<span class="HOEnZb"><font color="#888888"><br>
P.<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
On Tue, 2014-07-15 at 11:00 +0530, siddheshwar chopra wrote:<br>
> Dear Dr. Giovanni Pizzi,<br>
><br>
> I re ran the i/p file.. i corrected the ecutrho value. But<br>
> unfortunately the same error persists. Please find attached the i/p,<br>
> o/p and crash files.<br>
><br>
> I have tried running it from a script and also directly from terminal<br>
> using "mpirun -n 3 pw.x -i <a href="http://graphene.scf20.in/" target="_blank">graphene.scf20.in</a>" .<br>
><br>
><br>
> Regards,<br>
><br>
><br>
><br>
> On Mon, Jul 14, 2014 at 9:39 PM, Giovanni Pizzi<br>
> <<a href="mailto:giovanni.pizzi@epfl.ch">giovanni.pizzi@epfl.ch</a>> wrote:<br>
> Dear Siddheshwar,<br>
> it is quite improbable that this error did not occur in your<br>
> first run. You must have changed something between the two<br>
> runs (and probably forgotten about it).<br>
><br>
> In any case, in the input file you wrote 'ecutrho=' but did<br>
> not specify any value. This for sure is (one of the possible)<br>
> causes of the error.<br>
><br>
> Best,<br>
> Giovanni<br>
><br>
><br>
><br>
> On 07/14/2014 02:01 PM, siddheshwar chopra wrote:<br>
><br>
> > Dear Users,<br>
> ><br>
> > I ran the pw.x successfully using 4 processors. But again<br>
> > when I am running the same i/p file, I am getting this<br>
> > error:<br>
> ><br>
> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> > %%%%%%%%%%%%%%%%%%<br>
> > Error in routine read_namelists (5010):<br>
> > reading namelist system<br>
> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
> > %%%%%%%%%%%%%%%%%%%<br>
> ><br>
> > stopping ...<br>
> ><br>
> > ===================================================================================<br>
> > = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
> > = EXIT CODE: 1<br>
> > = CLEANING UP REMAINING PROCESSES<br>
> > = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES<br>
> > ===================================================================================<br>
> ><br>
> ><br>
> > Please tell me how to resolve this issue.<br>
> ><br>
> ><br>
> > Regards,<br>
> ><br>
> > --<br>
> > Dr. Siddheshwar chopra,<br>
> > M.Sc., Ph.D (Physics)<br>
> > Assistant Professor (Physics),<br>
> ><br>
> > Amity University, Noida, India.<br>
> ><br>
> ><br>
> ><br>
> ><br>
> ><br>
> > _______________________________________________<br>
> > Pw_forum mailing list<br>
> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
> > <a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
><br>
><br>
> --<br>
> Giovanni Pizzi<br>
> Post-doctoral Research Scientist<br>
> EPFL STI IMX THEOS<br>
> MXC 340 (Bâtiment MXC)<br>
> Station 12<br>
> CH-1015 Lausanne (Switzerland)<br>
> Phone: +41 21 69 31124<br>
><br>
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><br>
><br>
><br>
> --<br>
> Dr. Siddheshwar chopra,<br>
> M.Sc., Ph.D (Physics)<br>
> Assistant Professor (Physics),<br>
><br>
> Amity University, Noida, India.<br>
><br>
><br>
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</span><span style="color:rgb(116,27,71)"><i>M.Sc., Ph.D (Physics)<br>Assistant Professor (Physics),<br></i></span></div><span style="color:rgb(116,27,71)"><i>Amity University, Noida, India.</i></span><span style="color:rgb(116,27,71)"><i><br>
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-- <br><br>Giovanni Cantele, PhD<br>CNR-SPIN<br>c/o Dipartimento di Fisica<br>Universita' di Napoli "Federico II"<br>Complesso Universitario M. S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it">giovanni.cantele@spin.cnr.it</a><br>Phone: +39 081 676910<br>Skype contact: giocan74<br><br>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009">http://www.researcherid.com/rid/A-1951-2009</a><br>Web page: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a><br>
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