From owner-nwchem-users@emsl.pnl.gov Mon Apr 17 08:58:31 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 k3HFwVsR011356 for ; Mon, 17 Apr 2006 08:58:31 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k3HFwV0F011355 for nwchem-users-outgoing-0915; Mon, 17 Apr 2006 08:58:31 -0700 (PDT) Date: Mon, 17 Apr 2006 11:56:41 -0300 From: JunJun Liu Subject: [NWCHEM] nga_put error 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=rUcdpRZwg0afkYmIi5/qmmAjmkMQ4cT4/DqAf9ga8YemgizvecWLmzGwFPly4NNgm6hWy7RdJ+LgGwBAplz4lfELbase6NprmJvOclV/fH2XRIgOoflAeKy5y/c0ub00M6MLKGGyVowLjRt6AXPkXEfXN0x8t0qfCffMyoDvEeA= User-Agent: Opera Mail/9.00 (Linux) Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear All, I got the following error when performing QM/MM calculations and are struggling against it. By reading previously discussed emails and other materials, this error looks like the global array does not math the local array and is related to MD module. But I still don't know how to resolve this problem. Can anybody please shed me a light on overcoming this strange problem? Thank you! ================ 0:0:nga_put:cannot locate region: [9036:9049 ,9036:9049 ]:: -997 0:0:nga_put:cannot locate region: [9036:9049 ,9036:9049 ]:: -997 Last System Error Message from Task 0:: Inappropriate ioctl for device ================ Best Regards! Liu -- JunJun Liu College of Chemistry Central China Normal University WuHan 430079 P.R. China