From chemistry-request-: at :-server.ccl.net Thu May 9 04:52:27 2002 Received: from sina.com ([202.108.35.232]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g498qQV21922 for ; Thu, 9 May 2002 04:52:26 -0400 Received: (qmail 7418 invoked by uid 99); 9 May 2002 08:45:52 -0000 Message-ID: <20020509084552.7417.qmail%!at!%sina.com> From: chenghuiqc To: chemistry:~at~:ccl.net Subject: do CI in gamess MIME-Version: 1.0 Date: Thu, 09 May 2002 16:45:52 +0800 X-Mailer: SinaMail 3.0Beta (FireToad) X-Priority: 3 Dear Sir: I am a graduate student.I am using GAMESS program now. But now I encounter a problem.I am doing a full CI calculation of N2 with 6-31G basis.I freeze the 1S electrons.Then the active space is (16,10).When I am runing the program,it die after integral sorting completed.Befere it was dead, it was writing a file that exceed 2GB.I guess that it is because the file is too large(>2GB)that leads to the dead of the program. How can I handle this problem? thank you very much chenhui dept chemistry Nanjing university P.R.China ______________________________________ =================================================================== 新浪免费电子邮箱 (http://mail.sina.com.cn) 新浪分类信息:二手市场走一走,该出手时就出手! (http://classad.sina.com.cn/2shou/)