From uacheva@nic.savba.sk Fri May 22 03:54:55 1998 Received: from nic.savba.sk (nic.savba.sk [147.213.1.22]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id DAA10971 Fri, 22 May 1998 03:54:29 -0400 (EDT) Received: (from uacheva@localhost) by nic.savba.sk (8.8.5/8.8.8) id JAA27628 for chemistry@www.ccl.net; Fri, 22 May 1998 09:51:12 +0200 (MET DST) From: Eva Scholtzova Message-Id: <199805220751.JAA27628@nic.savba.sk> Subject: alpha_linux To: chemistry@www.ccl.net Date: Fri, 22 May 1998 09:50:14 +0200 (MET DST) X-Mailer: ELM [version 2.4 PL24 ME8] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Dear CCLs, Has anyone experience whith compilation of GAUSSIAN94 in alpha_linux enviroment? Thanks for each helpfull answer. Eva Scholtzova -- ############################################################### # Eva Scholtzova # # Ph.D. Student # # Institute of Inorganic Chemistry # # Slovak Academy of Sciences # # Dubravska cesta 9 uacheva@savba.sk # # SK-84236 Bratislava Fax (42-7) 373-541 # # Slovakia Phone (42-7) 378-2835 # ############################################################### From gostowskir@apsu01.apsu.edu Fri May 22 16:01:34 1998 Received: from apsu02.apsu.edu (apsu02.apsu.edu [198.146.56.10]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id QAA00364 Fri, 22 May 1998 16:01:33 -0400 (EDT) Received: from gostowskir.apsu.edu by APSU02.APSU.EDU (PMDF V5.1-4 #16785) with ESMTP id <01IXC6O5Y78W00620O@APSU02.APSU.EDU> for chemistry@www.ccl.net; Fri, 22 May 1998 14:59:45 CST Date: Fri, 22 May 1998 15:03:22 -0500 From: Rudy Gostowski Subject: GAMESS no $DATA found To: CCL LIST Message-id: <01IXC6O5YUK200620O@APSU02.APSU.EDU> MIME-version: 1.0 X-Mailer: Microsoft Internet Mail 4.70.1161 Content-type: text/plain; charset=ISO-8859-1 Content-transfer-encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal I received the error message: **** ERROR, NO $DATA GROUP WAS FOUND The following input file was used: $CONTRL EXETYPE=CHECK MULT=2 COORD=CART UNITS=ANGS $END $DATA 9phflr3.gam 9-PHENYL FLUORENYL RADICAL Cs Carbon 6.0 0.00000 0.00000 0.00000 Carbon 6.0 1.45210 0.00000 0.00000 Carbon 6.0 1.87100 1.38620 0.00000 Carbon 6.0 3.13330 1.97110 0.02490 Carbon 6.0 0.71080 2.24100 0.00220 Carbon 6.0 0.82590 3.61510 0.01050 Carbon 6.0 -0.46680 1.37030 0.00170 Carbon 6.0 2.11040 4.17520 0.02430 Carbon 6.0 3.24470 3.36590 0.03220 Carbon 6.0 2.30380 -1.15170 0.00030 Carbon 6.0 3.49260 -1.17260 -0.75100 Carbon 6.0 1.97210 -2.29760 0.74920 Carbon 6.0 4.31810 -2.29100 -0.75250 Carbon 6.0 -1.82050 1.65300 -0.01070 Carbon 6.0 -0.92770 -1.03650 -0.03470 Carbon 6.0 3.97770 -3.41700 -0.00250 Carbon 6.0 2.80200 -3.41490 0.74910 Carbon 6.0 -2.29160 -0.72800 -0.04420 Carbon 6.0 -2.73650 0.59180 -0.02940 Hydrogen 1.0 -0.59740 -2.08560 -0.06350 Hydrogen 1.0 -3.02640 -1.54770 -0.06870 Hydrogen 1.0 -3.81540 0.80820 -0.03870 Hydrogen 1.0 -2.18180 2.69190 -0.01170 Hydrogen 1.0 4.03960 1.34780 0.05230 Hydrogen 1.0 -0.06500 4.25970 0.01160 Hydrogen 1.0 2.22090 5.27040 0.03150 Hydrogen 1.0 4.24660 3.82060 0.04960 Hydrogen 1.0 5.24200 -2.28820 -1.35090 Hydrogen 1.0 4.63170 -4.30150 -0.00220 Hydrogen 1.0 2.52740 -4.29690 1.34670 Hydrogen 1.0 1.05390 -2.29830 1.35740 Hydrogen 1.0 3.76070 -0.29490 -1.36090 $END The following output file was given: 1 ****************************************************** * GAMESS VERSION = 18 MAR 1997 * * FROM IOWA STATE UNIVERSITY * * M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, S.T.ELBERT, * * M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA, * * K.A.NGUYEN, S.J.SU, T.L.WINDUS, * * TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY * * J.COMPUT.CHEM. 14, 1347-1363(1993) * ********Intel x86 (DOS32, OS/2, WIN32) VERSION******** * PC GAMESS version 4.4, build number 1360 * * Compiled on Saturday, 21-02-1998, 21:21:05 * * Partial Copyright (c) 1994, 1998 by * * Alex. A. Granovsky, Moscow State University - * * Intel specific optimization, enhancements, * * and multiple bug fixes. * * This program should not be distributed in any form * * without special permission of its maintainers. * ****************************************************** EXECUTION OF GAMESS BEGUN 14:47:23 LT 22-MAY-1998 ECHO OF THE FIRST FEW INPUT CARDS - INPUT CARD>$CONTRL EXETYPE=CHECK MULT=2 COORD=CART UNITS=ANGS $END INPUT CARD>$DATA INPUT CARD>9phflr3.gam 9-PHENYL FLUORENYL RADICAL INPUT CARD>Cs INPUT CARD> INPUT CARD>Carbon 6.0 0.00000 0.00000 0.00000 INPUT CARD>Carbon 6.0 1.45210 0.00000 0.00000 INPUT CARD>Carbon 6.0 1.87100 1.38620 0.00000 INPUT CARD>Carbon 6.0 3.13330 1.97110 0.02490 INPUT CARD>Carbon 6.0 0.71080 2.24100 0.00220 INPUT CARD>Carbon 6.0 0.82590 3.61510 0.01050 INPUT CARD>Carbon 6.0 -0.46680 1.37030 0.00170 INPUT CARD>Carbon 6.0 2.11040 4.17520 0.02430 INPUT CARD>Carbon 6.0 3.24470 3.36590 0.03220 INPUT CARD>Carbon 6.0 2.30380 -1.15170 0.00030 INPUT CARD>Carbon 6.0 3.49260 -1.17260 -0.75100 INPUT CARD>Carbon 6.0 1.97210 -2.29760 0.74920 INPUT CARD>Carbon 6.0 4.31810 -2.29100 -0.75250 INPUT CARD>Carbon 6.0 -1.82050 1.65300 -0.01070 INPUT CARD>Carbon 6.0 -0.92770 -1.03650 -0.03470 INPUT CARD>Carbon 6.0 3.97770 -3.41700 -0.00250 INPUT CARD>Carbon 6.0 2.80200 -3.41490 0.74910 INPUT CARD>Carbon 6.0 -2.29160 -0.72800 -0.04420 INPUT CARD>Carbon 6.0 -2.73650 0.59180 -0.02940 INPUT CARD>Hydrogen 1.0 -0.59740 -2.08560 -0.06350 INPUT CARD>Hydrogen 1.0 -3.02640 -1.54770 -0.06870 INPUT CARD>Hydrogen 1.0 -3.81540 0.80820 -0.03870 INPUT CARD>Hydrogen 1.0 -2.18180 2.69190 -0.01170 INPUT CARD>Hydrogen 1.0 4.03960 1.34780 0.05230 INPUT CARD>Hydrogen 1.0 -0.06500 4.25970 0.01160 INPUT CARD>Hydrogen 1.0 2.22090 5.27040 0.03150 INPUT CARD>Hydrogen 1.0 4.24660 3.82060 0.04960 INPUT CARD>Hydrogen 1.0 5.24200 -2.28820 -1.35090 INPUT CARD>Hydrogen 1.0 4.63170 -4.30150 -0.00220 INPUT CARD>Hydrogen 1.0 2.52740 -4.29690 1.34670 INPUT CARD>Hydrogen 1.0 1.05390 -2.29830 1.35740 INPUT CARD>Hydrogen 1.0 3.76070 -0.29490 -1.36090 INPUT CARD>$END 2000000 WORDS OF MEMORY AVAILABLE **** ERROR, NO $DATA GROUP WAS FOUND EXECUTION OF GAMESS TERMINATED ABNORMALLY AT 14:47:23 LT 22-MAY-1998 STEP CPU TIME = 0.27 TOTAL CPU TIME = 0.3 ( 0.0 MIN) IS100.00 PERCENT OF REAL TIME OF 0.3 0 WORDS OF DYNAMIC MEMORY USED STOP IN ABRT Please indicate what part of the INPUT file is not correct. thank you, Rudy Gostowski Department of Chemistry Austin Peay State University Box 4547 Clarksville, TN 37044 931-648-7624 FAX 931-648-5996 gostowskir@apsu01.apsu.edu