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<body class='hmmessage'><div dir='ltr'>you use just one input file with : <b>restart_mode='restart',</b> from the begining<br><br><br><div>> Date: Tue, 3 Jun 2014 17:03:21 +0530<br>> From: manchugh@iitk.ac.in<br>> To: pw_forum@pwscf.org<br>> Subject: [Pw_forum] pwscf restart problem<br>> <br>> Dear QE users<br>> <br>> I am running a relax calculation for 5x5 unit cell. Due to less number of<br>> available processors, I had to restart the calculation twice after the<br>> walltime exceeds the limit. For the first time, I made copy of my first<br>> input file with some another name and changed the restart_mode from<br>> "from_scratch" to "restart". It worked perfectly.<br>> For the second time also, I made copy of my second input file with some<br>> another name and ran it. But for the second restart, calculation has been<br>> stopped at iteration 1. Is it wrong to do restart the calculation twice.<br>> <br>> Thanks for any help<br>> Regards<br>> -- <br>> Manjusha<br>> Research Scholar<br>> Department of Chemistry<br>> Indian Institute of Technology,Kanpur<br>> U.P., India 208016<br>> <br>> <br>> <br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://pwscf.org/mailman/listinfo/pw_forum<br></div> </div></body>
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