13:42:38 BAJOB BATCON version 13(1071) running EXA sequence 13499 in stream 1 for DGARFINKEL 13:42:38 BAFIL Input from DSKB0:EXAMPL.CMD[102,4] 13:42:38 BAFIL Output to DSKB0:EXA.LOG[102,4] 13:42:38 BASUM Job parameters Time:00:05:00 Core:99K Unique:YES Restart:NO 13:42:38 MONTR 13:42:38 MONTR .LOGIN 102/4 13:42:39 USER JOB 15 MEDICAL SCHOOL 701 KL TTY77 13:42:39 USER %(1)LGNPWE PPN will expire on 30-Nov-83 13:42:39 USER [LGNJSP Other jobs same PPN:19] 13:42:39 USER 13:42 17-Nov-83 Thur 13:42:41 MONTR 13:42:41 MONTR ..; this is an actual command file in tops -10, 13:42:41 MONTR ..; executed through the batch job processor.; 13:42:41 MONTR ..; It is designed to offer you an example of 13:42:41 MONTR ..; how you would compile and run an example of 13:42:42 MONTR ..; PENNZYME under our system.; 13:42:42 MONTR ..; 13:42:42 MONTR ..; 13:42:42 MONTR ..; PLEASE IGNORE THIS INITIAL COMMANDS 13:42:42 MONTR ..MOUNT DS14: 13:42:44 USER Request queued to mount units 13:42:44 USER Please wait ... 13:43:59 USER 13:43:59 USER DS14 Mounted 13:44:00 MONTR 13:44:00 MONTR ..R SS 13:44:00 USER 13:44:00 USER 13:44:00 USER *C DS14: 13:44:00 USER 13:44:00 USER *CP [102,4,PENNZY] 13:44:00 USER 13:44:00 USER * 13:44:01 MONTR ..; 13:44:01 MONTR ..; OK, NOW THE EXAMPLE STARTS: 13:44:01 MONTR ..compile comm.for 13:44:02 MONTR 13:44:02 MONTR ..compile graprm.for 13:44:02 MONTR 13:44:02 MONTR ..; remember, you need these two first 13:44:02 MONTR ..; 13:44:02 MONTR ..compile @epfgra 13:44:07 MONTR 13:44:07 MONTR ..; 13:44:07 MONTR ..; 13:44:07 MONTR ..; 13:44:07 MONTR ..; 13:44:07 MONTR ..; NOW, WE CAN START AN EXECUTION TRY: 13:44:08 MONTR ..; FIRST, LETS SEE THE PARMETER FILE 13:44:08 MONTR ..ty test1.par 13:44:08 USER EXAMPLE 13:44:08 USER 2 13:44:08 USER KM 0.15 13:44:08 USER VMAX 1 13:44:08 MONTR 13:44:08 MONTR ..; 13:44:09 MONTR ..; CONVERT THAT TO A FORTRAN FILE 13:44:09 MONTR ..copy for01.dat = test1.par 13:44:09 MONTR 13:44:09 MONTR ..; 13:44:09 MONTR ..; 13:44:10 MONTR ..; 13:44:10 MONTR ..; NOW, LET'S SEE THE DATA FILE: 13:44:10 MONTR ..ty test20.dat 13:44:10 USER 1,5 13:44:10 USER A 13:44:10 USER 0.1 0.30 13:44:10 USER 0.2 0.60 13:44:10 USER 0.5 0.80 13:44:10 USER 0.75 0.85 13:44:10 USER 1.0 0.90 13:44:10 MONTR 13:44:10 MONTR ..; 13:44:11 MONTR ..; CONVERT THAT TO A FORTRAN FILE: 13:44:11 MONTR ..copy for20.dat = test20.dat 13:44:11 MONTR 13:44:11 MONTR ..; 13:44:11 MONTR ..; 13:44:11 MONTR ..; WE NEED A RATE LAW FILE, LET'S CHOOSE TEST1.RAT 13:44:11 MONTR ..ty test1.rat 13:44:12 USER FUNCTION RATE(PCONC,PARAM) 13:44:12 USER 13:44:12 USER 13:44:12 USER C DUMMY VARIABLES: 13:44:12 USER C PCONC CONCENTRATION ARRAY. 13:44:12 USER C PARAM PARAMETER ARRAY. 13:44:12 USER 13:44:12 USER DIMENSION PCONC(1),PARAM(1) 13:44:12 USER DATA QSMALL/1E-35/ 13:44:12 USER 13:44:12 USER 13:44:12 USER IF (PCONC(1).LE.QSMALL) GO TO 100 13:44:12 USER C---- ELSE, CALCULATE THE REACTION RATE. 13:44:12 USER QA=PARAM(1)/PCONC(1) 13:44:12 USER 13:44:12 USER RATE=PARAM(2)/(1+QA) 13:44:12 USER 13:44:12 USER GO TO 110 13:44:12 USER C---- THEN, THE RATE WOULD HAVE BEEN ZERO. 13:44:12 USER 100 RATE = 0.0 13:44:12 USER 110 CONTINUE 13:44:12 USER 13:44:12 USER 13:44:12 USER RETURN 13:44:12 USER 13:44:12 USER END 13:44:12 MONTR 13:44:12 MONTR ..; 13:44:12 MONTR ..; 13:44:12 MONTR ..; 13:44:13 MONTR ..; WE NEED TO COMPILE THE RATE LAW SUBROUTINE 13:44:13 MONTR ..compile test1.rat 13:44:13 MONTR 13:44:13 MONTR ..; 13:44:13 MONTR ..; 13:44:13 MONTR ..; FINALLY, EXECUTE THE PENNZYME PROGRAM: 13:44:13 MONTR ..ex @epfgra,test1.rel 13:44:17 USER LINK: Loading 13:44:23 USER %LNKMDS Multiply-defined global symbol SYMBOL 13:44:25 USER Detected in module SYMBOL from file SYS:FORLIB.REL[1,4] 13:44:25 USER Defined value = 147352, this value = 151261 13:44:26 USER %LNKMDS Multiply-defined global symbol CONVER 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 151617, this value = 156523 13:44:26 USER %LNKMDS Multiply-defined global symbol PLOT 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 147341, this value = 155746 13:44:26 USER %LNKMDS Multiply-defined global symbol PLOTS 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 147336, this value = 155673 13:44:26 USER %LNKMDS Multiply-defined global symbol SYMBLX 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 151257, this value = 157650 13:44:26 USER %LNKMDS Multiply-defined global symbol SYMBOL 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 147352, this value = 157656 13:44:26 USER %LNKMDS Multiply-defined global symbol USYMB 13:44:26 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:26 USER Defined value = 151255, this value = 157653 13:44:26 USER %LNKMDS Multiply-defined global symbol WHICH 13:44:28 USER Detected in module CALPLT from file SYS:FORLIB.REL[1,4] 13:44:28 USER Defined value = 147326, this value = 155637 13:44:28 USER [LNKXCT EPF1MN execution] 13:44:29 USER 13:44:29 USER DEFN LEVEL 13:44:29 USER ENTER DESIRED OPTION > DATA 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER 13:44:29 USER ********************************************************************** 13:44:29 USER * EXAMPLE * 13:44:29 USER * INPUT DATA * 13:44:29 USER ********************************************************************** 13:44:29 USER 13:44:29 USER 13:44:29 USER NUMBER OF PARAMETERS NUMBER OF CHEMICALS NUMBER OF EXPERIMENTS 13:44:29 USER 2 1 5 13:44:29 USER 13:44:29 USER OBSERVED STANDARD 13:44:29 USER CHEMICAL CONCENTRATIONS VELOCITY DEVIATION 13:44:29 USER POINT 1 13:44:30 USER SET # 1 13:44:30 USER 1 0.1000 0.3000 0.0000 13:44:30 USER 2 0.2000 0.6000 0.0000 13:44:30 USER 3 0.5000 0.8000 0.0000 13:44:30 USER 4 0.7500 0.8500 0.0000 13:44:30 USER 5 1.0000 0.9000 0.0000 13:44:30 USER 13:44:30 USER REPORT LEVEL 13:44:30 USER ENTER DESIRED OPTION > SIMPLEX 13:44:31 USER 13:44:31 USER OPTIM LEVEL 13:44:31 USER ENTER DESIRED OPTION > SMPRPT 13:44:31 USER 13:44:31 USER 13:44:31 USER ---------------------------------------------------------------------- 13:44:31 USER 13:44:31 USER 13:44:31 USER FITTING BY SIMPLEX METHOD. 13:44:31 USER 13:44:31 USER CONVERGENCE ACHIEVED AFTER 10 ITERATIONS. 13:44:31 USER -ELAPSED CPU TIME: 0 MIN 0.0 SEC 13:44:31 USER 13:44:31 USER 13:44:31 USER RMS RELATIVE DEVIATION TARGET ACTUAL 13:44:31 USER ABOUT THE CENTROID OF - 13:44:31 USER -KINETIC PARAMETERS: 5.00000E-02 3.88043E-02 13:44:32 USER 13:44:32 USER 13:44:32 USER LEAST-SQUARES ERROR: START 6.57448E-02 END 5.09470E-02 13:44:32 USER PERCENT REDUCTION: 22.51% 13:44:32 USER 13:44:32 USER 13:44:32 USER OPTIMAL PARAMETER VALUES WERE: 13:44:32 USER KM 1.93831E-01 13:44:32 USER VMAX 1.07967E+00 13:44:32 USER 13:44:32 USER OPTIM LEVEL 13:44:32 USER ENTER DESIRED OPTION > FP 13:44:32 USER MATSET COMPUTING H-MATRIX 13:44:32 USER MATSET COMPUTING H-MATRIX 13:44:32 USER MATDIA COMPUTING H-MATRIX 13:44:32 USER 13:44:32 USER OPTIM LEVEL 13:44:32 USER ENTER DESIRED OPTION > FPRPT 13:44:32 USER 13:44:32 USER 13:44:32 USER ---------------------------------------------------------------------- 13:44:32 USER 13:44:32 USER 13:44:32 USER FITTING BY FLETCHER-POWELL METHOD. 13:44:32 USER 13:44:32 USER CONVERGENCE ACHIEVED AFTER 5 ITERATIONS. 13:44:33 USER -ELAPSED CPU TIME: 0 MIN 0.0 SEC 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER LEAST-SQUARES ERROR: START 5.09470E-02 END 5.04924E-02 13:44:33 USER PERCENT REDUCTION: 0.89% 13:44:33 USER 13:44:33 USER 13:44:33 USER OPTIMAL PARAMETER VALUES WERE: 13:44:33 USER KM 2.02510E-01 13:44:33 USER VMAX 1.09665E+00 13:44:33 USER 13:44:33 USER OPTIM LEVEL 13:44:33 USER ENTER DESIRED OPTION > STATS 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER 13:44:33 USER ********************************************************************** 13:44:33 USER * EXAMPLE * 13:44:33 USER * STATISTICS REPORT * 13:44:34 USER ********************************************************************** 13:44:34 USER 13:44:34 USER 13:44:34 USER 13:44:34 USER 13:44:34 USER RESIDUAL ERROR: 5.04924E-02 13:44:34 USER AVERAGE OBSERVED VELOCITY: 6.90000E-01 13:44:34 USER (RES. ERR.)/(AV. VEL.) = RELATIVE ERROR: 7.31774E-02 13:44:34 USER 13:44:34 USER 13:44:34 USER PARAMETER 13:44:34 USER NAME VALUE STD. DEV. CNFD. LIM. T-STATISTIC < T(.95) 13:44:34 USER 13:44:34 USER KM 2.02510E-01 4.388E-02 1.396E-01 4.61470E+00 13:44:34 USER VMAX 1.09665E+00 7.253E-02 2.308E-01 1.51206E+01 13:44:34 USER 13:44:34 USER REPORT LEVEL 13:44:34 USER ENTER DESIRED OPTION > VARCOV 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER ********************************************************************** 13:44:35 USER * EXAMPLE * 13:44:35 USER * VAR-COVAR MATRIX * 13:44:35 USER ********************************************************************** 13:44:35 USER KM VMAX 13:44:35 USER 1.9258E-03 2.8097E-03 KM 13:44:35 USER 5.2601E-03 VMAX 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER 13:44:35 USER ********************************************************************** 13:44:35 USER * EXAMPLE * 13:44:35 USER * NORM. VAR-COVAR MATRIX * 13:44:35 USER ********************************************************************** 13:44:35 USER KM VMAX 13:44:35 USER 1.0000E+00 8.8280E-01 KM 13:44:35 USER 1.0000E+00 VMAX 13:44:36 USER 13:44:36 USER 13:44:36 USER REPORT LEVEL 13:44:36 USER ENTER DESIRED OPTION > QUIT 13:44:36 USER 13:44:36 USER CPU time 1.20 Elapsed time 7.75 13:44:36 MONTR 13:44:36 MONTR EXIT 13:44:36 MONTR 13:44:36 MONTR ..; I HOPE THIS WILL HELP YOU 13:44:36 MONTR ..; IGNORE THIS LAST COMMANDS: 13:44:37 MONTR ..DISMOUNT DS14:/NOREMOVE 13:44:38 USER DS14 Dismounted 13:44:38 MONTR 13:44:38 MONTR ..k/f 13:44:38 MONTR OTHER JOBS SAME PPN 13:44:38 MONTR Job 15, User [102,4] Logged off TTY77 1344 17-Nov-83 13:44:38 MONTR Another job still logged in under [102,4] 13:44:38 MONTR Runtime 8.47 Sec