From owner-nwchem-users@emsl.pnl.gov Wed May 17 10:44:53 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.6/8.13.6) with ESMTP id k4HHirdb024425 for ; Wed, 17 May 2006 10:44:53 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k4HHirgk024424 for nwchem-users-outgoing-0915; Wed, 17 May 2006 10:44:53 -0700 (PDT) Date: Wed, 17 May 2006 13:44:49 -0300 From: JunJun Liu Subject: [NWCHEM] "Error in number of solute fractions" when restart calculation To: nwchem-users@emsl.pnl.gov Message-id: MIME-version: 1.0 Content-type: text/plain; format=flowed; delsp=yes; charset=utf-8 Content-transfer-encoding: 8bit DomainKey-Signature: a=rsa-sha1; q=dns; c=nofws; s=beta; d=gmail.com; h=received:date:to:subject:from:content-type:mime-version:content-transfer-encoding:message-id:user-agent; b=JT67lg5RWcI5fX9diRY+X10KgnQrwBcraGmF6GKxw8X/m7oZrcQypiRf9pn/v4pj7sMCG8GYrE5EHbobcute8mfpqSuzRM7N8OILwveY0FrZeYCMHEQjrHwRX1j7qme2WKjTmvQFj871Cka9yn9fQ6xVRTR6gT5NpL+Z+H1nW20= User-Agent: Opera Mail/9.00 (Linux) Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear all, I killed a QM/MM calculation. Now I want to restart it. So I change "start mysystem" to "restart mysystem" and then submit the job. But the following errors appear immediately ********** * 0: Error in number of solute fractions 0 ********** Can anybody please tell me what this error means and how to restart the QM/MM calculation. Thanks in advance! Best Regards! Liu -- JunJun Liu College of Chemistry Central China Normal University WuHan 430079 P.R. China