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From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 02:13:53
|
complete thread compiled below: ----- Forwarded message from her...@ll... ----- Date: Tue, 17 Apr 2007 13:38:43 -0700 From: Olivier Herbinet <her...@ll...> Reply-To: Olivier Herbinet <her...@ll...> Subject: Re: Reaction Mechanism Generator (RMG) To: Gregory Magoon <gm...@mi...> Hi Greg. I found what the problem was. There was a mistake in the ".cshrc" file. So I could run the software and I obtained a mechanism. Again thank you for your help. I am going to try with an other reacting system now. Olivier Date: Tue, 17 Apr 2007 13:20:23 -0700 From: Olivier Herbinet <her...@ll...> Reply-To: Olivier Herbinet <her...@ll...> Subject: Re: Reaction Mechanism Generator (RMG) To: Gregory Magoon <gm...@mi...> Hi Greg. I think I identified the problem. The path for the file "ForbiddenStrucutre.txt" is wrong. There is a folder named "sh" in the path that doesn't exist (see below). I don't know where I can change that. Thank you. Olivier yana4{herbinet}34: /g/g92/herbinet/jdk1.6.0_01/bin/java -Xmx500m -classpath /g/g92/herbinet/RMG/RMG_2_00/software/RMG RMG condition.txt > output.txt & [1] 8412 yana4{herbinet}35: /g/g92/herbinet/sh /RMG/database/RMG_database/forbiddenStructure/ForbiddenStructure.txt (No such file or directory) At 12:40 PM 4/17/2007, you wrote: >Hi Olivier, > I have attached a "condition.txt" file. If this works (whereas your original >condition file does not work) you can send the one that doesn't work >to me, and >I can take a look at it to see why it isn't working. If the attached test file >doesn't work, please let me know, and I will try to figure out the problem. > >Greg > >Quoting Olivier Herbinet <her...@ll...>: > >>Hi Greg. >> >>It works now. >>But I have a new issue : "can't find database" >>Maybe you can send me a "condition.txt" file to do a test if you have one. >>Thank you. >> >>Olivier >> >> >>At 11:42 AM 4/17/2007, you wrote: >>>Hi Olivier, >>>I would suggest you try the following: >>> Instead of beginning the command-line call for RMG with "java >>> ...", replace >>>"java" with the directory of the new version of Java (with /bin/java at the >>>end); the rest of the line can be the same. >>> >>>If this works, we may be able to adjust the ordering of the path variable to >>>cause the new version of Java to be called by default with "java". (That way >>>you won't have to include the entire directory path every time you >>>want to call >>>RMG.) >>> >>>Greg >>> >>>Quoting Olivier Herbinet <her...@ll...>: >>> >>> > Hi Greg. >>> > >>> > Here is what I got: >>> > >>> > yana4{herbinet}21: which java >>> > /usr/bin/java >>> > >>> > This is the location of the "old" java version. >>> > >>> > Olivier >>> > >>> > At 11:03 AM 4/17/2007, you wrote: >>> > Hi Olivier, >>> > Try typing "which java" to see which version of Java it is >>> > referencing. Please >>> > let me know what you find out. >>> > >>> > Greg >>> > >>> > Quoting Olivier Herbinet <her...@ll...>: >>> > >>> > Hi Greg. >>> > >>> > I performed the installation of the Java Platform but I still get a >>> > similar error message: >>> > >>> > yana4{herbinet}99: java -Xmx500m -classpath >>> > /g/g92/herbinet/RMG/RMG_2_00/software/RMG RMG condition.txt > output >>> > & >>> > The java class could not be loaded. >>> > java.lang.UnsupportedClassVersionError: (RMG) bad major version at >>> > offset=6 >>> > >>> > If you have an idea why it doesn't work, let me know (maybe I have to >>> > create a link to specify where the software is installed). >>> > Thank you for your help. >>> > >>> > Olivier. >>> > >>> > P.S.: feel free to forward our correspondance. >>> > >>> > At 06:33 PM 4/16/2007, you wrote: >>> > Hi Olivier, >>> > Good job getting Steps 4 and 5 to work. I can understand your >>> > difficulty with >>> > the Java versions, as the multitude of options can be confusing. As I >>> > understand it, there are two main options: JRE (Java Runtime >>> > Environment) or >>> > JDK (Java (Software) Development Kit). Basically, the JRE allows you >>> > to run >>> > Java applications, while JDK provides additional Java development >>> > capabilities >>> > (compiling, etc.); the JDK also includes the JRE components for >>> > running Java >>> > applications. Unless you plan on writing or modifying Java code, JRE >>> > should be >>> > adequate. >>> > Another potential point of confusion is the version numbering: for >>> > instance, >>> > Java 5 and Java 1.5 are the same, while Java 6 and Java 1.6 are also >>> > the same. >>> > In my experience, the newest version of RMG will not work with Java >>> > 5/1.5, but >>> > will work with Java 6/1.6. >>> > So to make a long story short, I would recommend downloading JRE 6. >>> > It is >>> > available at http://java.sun.com/javase/downloads/index.jsp[1[1]] >>> > under >>> > "Java Runtime >>> > Environment (JRE) 6u1" (a little more than halfway down the page). >>> > Let me know >>> > if you need any further assistance with this. >>> > As an aside, would you mind if I forwarded some of our >>> > correspondence to the >>> > RMG users mailing list (hosted and archived on SourceForge.net) so >>> > that others >>> > with similar problems can benefit? >>> > >>> > Greg >>> > >>> > Quoting Olivier Herbinet <her...@ll...>: >>> > >>> > Hi Greg. >>> > >>> > I have good news. >>> > We have a Fortran 90 compiler on our machine (the list of the >>> > available compilers was not updated...). The command is "pathf90". I >>> > was able to complete the steps 4 and 5 of the installation process. >>> > So now the software is installed. >>> > >>> > I have a new problem. It seems that the version of java is not the >>> > good one. >>> > Can you tell me what version is necessary to run RMG? I looked on the >>> > website of Sun but there are many available kits. I don't know which >>> > one is the good one. >>> > Thank you for your help. >>> > >>> > Olivier >>> > >>> > Here is the error message I got this afternoon: >>> > >>> > yana4{herbinet}78: java -Xmx500m -classpath >>> > /g/g92/herbinet/RMG/RMG_2_00/software/RMG RMG condition.txt > output >>> > & >>> > [1] 18101 >>> > yana4{herbinet}79: The java class could not be loaded. >>> > java.lang.UnsupportedClassVersionError: (RMG) bad major version at >>> > offset=6 >>> > >>> > Links: >>> > ------ >>> > [1] http://java.sun.com/javase/downloads/index.jsp[2] >>> > >>> > >>> > >>> > Links: >>> > ------ >>> > [1] http://java.sun.com/javase/downloads/index.jsp%5B1 >>> > [2] http://java.sun.com/javase/downloads/index.jsp >>> > >> > > > > ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 02:02:19
|
Note: the final suggested fix ended up working (cf. "'can't find database' error" thread) ----- Forwarded message from gm...@mi... ----- Date: Tue, 17 Apr 2007 14:42:14 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, I would suggest you try the following: Instead of beginning the command-line call for RMG with "java ...", replace "java" with the directory of the new version of Java (with /bin/java at the end); the rest of the line can be the same. If this works, we may be able to adjust the ordering of the path variable to cause the new version of Java to be called by default with "java". (That way you won't have to include the entire directory path every time you want to call RMG.) Greg Quoting Olivier Herbinet <her...@ll...>: > Hi Greg. > > Here is what I got: > > yana4{herbinet}21: which java > /usr/bin/java > > This is the location of the "old" java version. > > Olivier > > At 11:03 AM 4/17/2007, you wrote: > Hi Olivier, > Try typing "which java" to see which version of Java it is > referencing. Please > let me know what you find out. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > I performed the installation of the Java Platform but I still get a > similar error message: > > yana4{herbinet}99: java -Xmx500m -classpath > /g/g92/herbinet/RMG/RMG_2_00/software/RMG RMG condition.txt > output > & > The java class could not be loaded. > java.lang.UnsupportedClassVersionError: (RMG) bad major version at > offset=6 > > If you have an idea why it doesn't work, let me know (maybe I have to > create a link to specify where the software is installed). > Thank you for your help. > > Olivier. > > P.S.: feel free to forward our correspondance. > > At 06:33 PM 4/16/2007, you wrote: > Hi Olivier, > Good job getting Steps 4 and 5 to work. I can understand your > difficulty with > the Java versions, as the multitude of options can be confusing. As I > understand it, there are two main options: JRE (Java Runtime > Environment) or > JDK (Java (Software) Development Kit). Basically, the JRE allows you > to run > Java applications, while JDK provides additional Java development > capabilities > (compiling, etc.); the JDK also includes the JRE components for > running Java > applications. Unless you plan on writing or modifying Java code, JRE > should be > adequate. > Another potential point of confusion is the version numbering: for > instance, > Java 5 and Java 1.5 are the same, while Java 6 and Java 1.6 are also > the same. > In my experience, the newest version of RMG will not work with Java > 5/1.5, but > will work with Java 6/1.6. > So to make a long story short, I would recommend downloading JRE 6. > It is > available at http://java.sun.com/javase/downloads/index.jsp[1[1]] > under > "Java Runtime > Environment (JRE) 6u1" (a little more than halfway down the page). > Let me know > if you need any further assistance with this. > As an aside, would you mind if I forwarded some of our > correspondence to the > RMG users mailing list (hosted and archived on SourceForge.net) so > that others > with similar problems can benefit? > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > I have good news. > We have a Fortran 90 compiler on our machine (the list of the > available compilers was not updated...). The command is "pathf90". I > was able to complete the steps 4 and 5 of the installation process. > So now the software is installed. > > I have a new problem. It seems that the version of java is not the > good one. > Can you tell me what version is necessary to run RMG? I looked on the > website of Sun but there are many available kits. I don't know which > one is the good one. > Thank you for your help. > > Olivier > > Here is the error message I got this afternoon: > > yana4{herbinet}78: java -Xmx500m -classpath > /g/g92/herbinet/RMG/RMG_2_00/software/RMG RMG condition.txt > output > & > [1] 18101 > yana4{herbinet}79: The java class could not be loaded. > java.lang.UnsupportedClassVersionError: (RMG) bad major version at > offset=6 > > Links: > ------ > [1] http://java.sun.com/javase/downloads/index.jsp[2] > > > > Links: > ------ > [1] http://java.sun.com/javase/downloads/index.jsp%5B1 > [2] http://java.sun.com/javase/downloads/index.jsp > ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 01:46:11
|
remainder of thread (3 messages) is compiled below Note: compiler issue ended up being resolved when the user tried another Fortran 90 compiler (see Java Version Issues thread for details) ----- Forwarded message from gm...@mi... ----- Date: Wed, 11 Apr 2007 14:38:46 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Another quick question: Does the system have 32-bit or 64-bit architecture? Thanks, Greg Date: Wed, 11 Apr 2007 14:05:59 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, Unfortunately, it is not immediately apparent to me (and a couple other members of my group) why you are obtaining this assembly error. Are you using a system with an x86 architecture? (The g95 link I sent was for the version for x86 architecture.) Also, I have attached the makefile again; although I tend to doubt that there is an issue with the makefile, you may want to redownload that to make sure you are using the correct version. Assuming that this does not fix the problem, I would suggest temporarily skipping to step 5 (compiling DASSL) and seeing if you obtain a similar error. If you get an error in step 5, please send us the error message (as you have done for the problem in step 4). If you don't get an error, then we may be able to send you an executable file as a substitute for step 4. Greg Quoting Olivier Herbinet <her...@ll...>: > Greg. > > Thank you for the command for the installation of g95. > I performed the installation and it seems to work. > Nevertheless I have still a problem. It seems it is linked to the > extension of the fortran files. > I hope you can help me with this new issue. > Thank you. > > Olivier > > yana4{herbinet}23: make > g95 -c daxpy.f > /var/tmp/herbinet/ccTmJJh7.s: Assembler messages: > /var/tmp/herbinet/ccTmJJh7.s:6: Error: suffix or operands invalid for > `push' > /var/tmp/herbinet/ccTmJJh7.s:20: Error: suffix or operands invalid > for `sahf' > make: *** [daxpy.o] Error 1 > > At 09:42 AM 4/6/2007, you wrote: > Hi Olivier, > Again, sorry for the confusion. After talking to a couple other > members of my > group, it sounds like the two commands from the g95 manual should > download and > install g95 for you. Here are the two commands: > > wget -O - http://ftp.g95.org/g95-x86-linux.tgz[1] | tar xvfz - > ln -s $PWD/g95-install/bin/i686-pc-linux-gnu-g95 /usr/bin/g95 > > Let me know if you have any problems. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > We have a f77 fortran compiler on the computer. > I replace "F90" by "F77" in the "makefile" file and I did a "make". > It seems it works but there is still a problem with the file > "lsfp_chem1.o". > Thank you. > > Olivier > > yana4{herbinet}25: make > f77 -c daxpy.f > f77 -c dgemm.f > f77 -c dgerq2.f > f77 -c dlamch.f > f77 -c dlarf.f > f77 -c dnrm2.f > f77 -c dormr2.f > f77 -c dtrsm.f > f77 -c lsfp_chem1.f > lsfp_chem1.f: In subroutine `chem': > lsfp_chem1.f:254: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:257: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:271: > DH1(1)=PHI_CHEM_H(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:272: > & -PHI_CHEM_H(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:278: > DH1(2)=DLTH - PHI_CHEM_H(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:312: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:315: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:328: > DS1(1)=PHI_CHEM_S(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:329: > & -PHI_CHEM_S(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:335: > DS1(2)=S_298 - PHI_CHEM_S(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > make: *** [lsfp_chem1.o] Error 1 > > At 03:39 PM 4/5/2007, you wrote: > Hi Olivier, > Unfortunately, it sounds like your system does not have g95 > installed. You are > correct that this is an issue with a Fortran compiler. You should be > able to > download a Linux version of g95 from http://ftp.g95.org/[1[2]] . If > you > need further > guidance with this, let me know. > > The g95 functions as a Fortran 90 compiler. If your system has a > different > Fortran 90 compiler, let me know, and I may be able to adjust the > makefile so > that you don't need to get g95. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for the new "makefile" file. > I have a new problem with the "make" command. > I suppose that g95 has something to do with the fortran compiler. > Thank you. > Olivier > > yana4{herbinet}26: make > g95 -c daxpy.f > make: g95: Command not found > make: *** [daxpy.o] Error 127 > > At 02:44 PM 4/5/2007, you wrote: > Hi Olivier, > Sorry for the previous confusion. I have attached a "Makefile" which > should > work. What you can do is replace the existing "Makefile" in the > ...software/GATPFit/GATPFit directory with the attached file. Then, > you > can retry Step 4. > > Let me know if you have any problems. > > Thanks again, > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for contacting us. > > I am using C shell (I have to tell you that I am not familiar with > Linux) and I have some difficulties for installing the RMG software > (I installed it on my laptop and it works very well. I could do some > trials and I am very impressed by the results). > I downloaded the new release of RMG and the corresponding manual of > installation. > I could performed the three first steps on pages 3 and 4. > I had some trouble at the fourth step. Here is the message I got when > I typed the "make" command: > > yana4{herbinet}27: cd GATPFit > /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit > yana4{herbinet}28: make > make: *** No targets. Stop. > > I hope you can help me with this issue. > Thanks. > > Olivier ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 01:07:35
|
----- Forwarded message from gm...@mi... ----- Date: Fri, 06 Apr 2007 12:42:34 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, Again, sorry for the confusion. After talking to a couple other members of my group, it sounds like the two commands from the g95 manual should download and install g95 for you. Here are the two commands: wget -O - http://ftp.g95.org/g95-x86-linux.tgz | tar xvfz - ln -s $PWD/g95-install/bin/i686-pc-linux-gnu-g95 /usr/bin/g95 Let me know if you have any problems. Greg Quoting Olivier Herbinet <her...@ll...>: > Hi Greg. > > We have a f77 fortran compiler on the computer. > I replace "F90" by "F77" in the "makefile" file and I did a "make". > It seems it works but there is still a problem with the file > "lsfp_chem1.o". > Thank you. > > Olivier > > yana4{herbinet}25: make > f77 -c daxpy.f > f77 -c dgemm.f > f77 -c dgerq2.f > f77 -c dlamch.f > f77 -c dlarf.f > f77 -c dnrm2.f > f77 -c dormr2.f > f77 -c dtrsm.f > f77 -c lsfp_chem1.f > lsfp_chem1.f: In subroutine `chem': > lsfp_chem1.f:254: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:257: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:271: > DH1(1)=PHI_CHEM_H(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:272: > & -PHI_CHEM_H(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:278: > DH1(2)=DLTH - PHI_CHEM_H(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:312: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:315: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:328: > DS1(1)=PHI_CHEM_S(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:329: > & -PHI_CHEM_S(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:335: > DS1(2)=S_298 - PHI_CHEM_S(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > make: *** [lsfp_chem1.o] Error 1 > > At 03:39 PM 4/5/2007, you wrote: > Hi Olivier, > Unfortunately, it sounds like your system does not have g95 > installed. You are > correct that this is an issue with a Fortran compiler. You should be > able to > download a Linux version of g95 from http://ftp.g95.org/[1] . If you > need further > guidance with this, let me know. > > The g95 functions as a Fortran 90 compiler. If your system has a > different > Fortran 90 compiler, let me know, and I may be able to adjust the > makefile so > that you don't need to get g95. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for the new "makefile" file. > I have a new problem with the "make" command. > I suppose that g95 has something to do with the fortran compiler. > Thank you. > Olivier > > yana4{herbinet}26: make > g95 -c daxpy.f > make: g95: Command not found > make: *** [daxpy.o] Error 127 > > At 02:44 PM 4/5/2007, you wrote: > Hi Olivier, > Sorry for the previous confusion. I have attached a "Makefile" which > should > work. What you can do is replace the existing "Makefile" in the > ...software/GATPFit/GATPFit directory with the attached file. Then, > you > can retry Step 4. > > Let me know if you have any problems. > > Thanks again, > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for contacting us. > > I am using C shell (I have to tell you that I am not familiar with > Linux) and I have some difficulties for installing the RMG software > (I installed it on my laptop and it works very well. I could do some > trials and I am very impressed by the results). > I downloaded the new release of RMG and the corresponding manual of > installation. > I could performed the three first steps on pages 3 and 4. > I had some trouble at the fourth step. Here is the message I got when > I typed the "make" command: > > yana4{herbinet}27: cd GATPFit > /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit > yana4{herbinet}28: make > make: *** No targets. Stop. > > I hope you can help me with this issue. > Thanks. > > Olivier > > Links: > ------ > [1] http://ftp.g95.org/ ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 01:05:20
|
----- Forwarded message from gm...@mi... ----- Date: Thu, 05 Apr 2007 21:23:27 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: CORRECTION:Re: Reaction Mechanism Generator (RMG) To: her...@ll... Additional CORRECTION: Actually, since you are using C shell, the Unix commands I originally mentioned may be appropriate. I have e-mailed another member of my group to try to get more concrete installation instructions for g95 on a C shell system. I apologize for the confusion. Greg Quoting Gregory Magoon <gm...@mi...>: > CORRECTION: I just realized that the commands in the pdf I mentioned are for > Unix, so you probably don't want to run these commands. If you download the a > Linux version and then UnTAR it, there will probably be an INSTALL > file. I will > try to get someone who has experience installing g95 on Linux to help if you > have trouble. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > >> Hi Greg. >> >> We have a f77 fortran compiler on the computer. >> I replace "F90" by "F77" in the "makefile" file and I did a "make". >> It seems it works but there is still a problem with the file >> "lsfp_chem1.o". >> Thank you. >> >> Olivier >> >> yana4{herbinet}25: make >> f77 -c daxpy.f >> f77 -c dgemm.f >> f77 -c dgerq2.f >> f77 -c dlamch.f >> f77 -c dlarf.f >> f77 -c dnrm2.f >> f77 -c dormr2.f >> f77 -c dtrsm.f >> f77 -c lsfp_chem1.f >> lsfp_chem1.f: In subroutine `chem': >> lsfp_chem1.f:254: >> CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:257: >> CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(6:10)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:271: >> DH1(1)=PHI_CHEM_H(Tint,X1(6:10)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:272: >> & -PHI_CHEM_H(Tint,X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:278: >> DH1(2)=DLTH - PHI_CHEM_H(298.15D0,X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:312: >> CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:315: >> CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(6:10)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:328: >> DS1(1)=PHI_CHEM_S(Tint,X1(6:10)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:329: >> & -PHI_CHEM_S(Tint,X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> lsfp_chem1.f:335: >> DS1(2)=S_298 - PHI_CHEM_S(298.15D0,X1(1:5)) >> 1 2 >> Invalid token at (2) in expression or subexpression at (1) >> make: *** [lsfp_chem1.o] Error 1 >> >> At 03:39 PM 4/5/2007, you wrote: >> Hi Olivier, >> Unfortunately, it sounds like your system does not have g95 >> installed. You are >> correct that this is an issue with a Fortran compiler. You should be >> able to >> download a Linux version of g95 from http://ftp.g95.org/[1] . If you >> need further >> guidance with this, let me know. >> >> The g95 functions as a Fortran 90 compiler. If your system has a >> different >> Fortran 90 compiler, let me know, and I may be able to adjust the >> makefile so >> that you don't need to get g95. >> >> Greg >> >> Quoting Olivier Herbinet <her...@ll...>: >> >> Hi Greg. >> >> Thank you for the new "makefile" file. >> I have a new problem with the "make" command. >> I suppose that g95 has something to do with the fortran compiler. >> Thank you. >> Olivier >> >> yana4{herbinet}26: make >> g95 -c daxpy.f >> make: g95: Command not found >> make: *** [daxpy.o] Error 127 >> >> At 02:44 PM 4/5/2007, you wrote: >> Hi Olivier, >> Sorry for the previous confusion. I have attached a "Makefile" which >> should >> work. What you can do is replace the existing "Makefile" in the >> ...software/GATPFit/GATPFit directory with the attached file. Then, >> you >> can retry Step 4. >> >> Let me know if you have any problems. >> >> Thanks again, >> Greg >> >> Quoting Olivier Herbinet <her...@ll...>: >> >> Hi Greg. >> >> Thank you for contacting us. >> >> I am using C shell (I have to tell you that I am not familiar with >> Linux) and I have some difficulties for installing the RMG software >> (I installed it on my laptop and it works very well. I could do some >> trials and I am very impressed by the results). >> I downloaded the new release of RMG and the corresponding manual of >> installation. >> I could performed the three first steps on pages 3 and 4. >> I had some trouble at the fourth step. Here is the message I got when >> I typed the "make" command: >> >> yana4{herbinet}27: cd GATPFit >> /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit >> yana4{herbinet}28: make >> make: *** No targets. Stop. >> >> I hope you can help me with this issue. >> Thanks. >> >> Olivier >> >> Links: >> ------ >> [1] http://ftp.g95.org/ ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 01:02:10
|
----- Forwarded message from gm...@mi... ----- Date: Thu, 05 Apr 2007 20:44:12 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, The problem is that f77 will only compile Fortran 77 code. At least part of the GATPFit code is in Fortran 90, so you will need a Fortran 90 compiler like g95. I recently noticed that the g95 manual (http://ftp.g95.org/G95Manual.pdf) has some instructions which appear to allow downloading and installing from the command line in just a couple of commands (see p. 3 of the manual). If you have trouble with downloading or installing g95, let me know, and we may be able to figure something out. Greg Quoting Olivier Herbinet <her...@ll...>: > Hi Greg. > > We have a f77 fortran compiler on the computer. > I replace "F90" by "F77" in the "makefile" file and I did a "make". > It seems it works but there is still a problem with the file > "lsfp_chem1.o". > Thank you. > > Olivier > > yana4{herbinet}25: make > f77 -c daxpy.f > f77 -c dgemm.f > f77 -c dgerq2.f > f77 -c dlamch.f > f77 -c dlarf.f > f77 -c dnrm2.f > f77 -c dormr2.f > f77 -c dtrsm.f > f77 -c lsfp_chem1.f > lsfp_chem1.f: In subroutine `chem': > lsfp_chem1.f:254: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:257: > CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:271: > DH1(1)=PHI_CHEM_H(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:272: > & -PHI_CHEM_H(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:278: > DH1(2)=DLTH - PHI_CHEM_H(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:312: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:315: > CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:328: > DS1(1)=PHI_CHEM_S(Tint,X1(6:10)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:329: > & -PHI_CHEM_S(Tint,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > lsfp_chem1.f:335: > DS1(2)=S_298 - PHI_CHEM_S(298.15D0,X1(1:5)) > 1 2 > Invalid token at (2) in expression or subexpression at (1) > make: *** [lsfp_chem1.o] Error 1 > > At 03:39 PM 4/5/2007, you wrote: > Hi Olivier, > Unfortunately, it sounds like your system does not have g95 > installed. You are > correct that this is an issue with a Fortran compiler. You should be > able to > download a Linux version of g95 from http://ftp.g95.org/[1] . If you > need further > guidance with this, let me know. > > The g95 functions as a Fortran 90 compiler. If your system has a > different > Fortran 90 compiler, let me know, and I may be able to adjust the > makefile so > that you don't need to get g95. > > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for the new "makefile" file. > I have a new problem with the "make" command. > I suppose that g95 has something to do with the fortran compiler. > Thank you. > Olivier > > yana4{herbinet}26: make > g95 -c daxpy.f > make: g95: Command not found > make: *** [daxpy.o] Error 127 > > At 02:44 PM 4/5/2007, you wrote: > Hi Olivier, > Sorry for the previous confusion. I have attached a "Makefile" which > should > work. What you can do is replace the existing "Makefile" in the > ...software/GATPFit/GATPFit directory with the attached file. Then, > you > can retry Step 4. > > Let me know if you have any problems. > > Thanks again, > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for contacting us. > > I am using C shell (I have to tell you that I am not familiar with > Linux) and I have some difficulties for installing the RMG software > (I installed it on my laptop and it works very well. I could do some > trials and I am very impressed by the results). > I downloaded the new release of RMG and the corresponding manual of > installation. > I could performed the three first steps on pages 3 and 4. > I had some trouble at the fourth step. Here is the message I got when > I typed the "make" command: > > yana4{herbinet}27: cd GATPFit > /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit > yana4{herbinet}28: make > make: *** No targets. Stop. > > I hope you can help me with this issue. > Thanks. > > Olivier > > Links: > ------ > [1] http://ftp.g95.org/ ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 00:59:12
|
----- Forwarded message from her...@ll... ----- Date: Thu, 05 Apr 2007 17:29:44 -0700 From: Olivier Herbinet <her...@ll...> Reply-To: Olivier Herbinet <her...@ll...> Subject: Re: Reaction Mechanism Generator (RMG) To: Gregory Magoon <gm...@mi...> Hi Greg. We have a f77 fortran compiler on the computer. I replace "F90" by "F77" in the "makefile" file and I did a "make". It seems it works but there is still a problem with the file "lsfp_chem1.o". Thank you. Olivier yana4{herbinet}25: make f77 -c daxpy.f f77 -c dgemm.f f77 -c dgerq2.f f77 -c dlamch.f f77 -c dlarf.f f77 -c dnrm2.f f77 -c dormr2.f f77 -c dtrsm.f f77 -c lsfp_chem1.f lsfp_chem1.f: In subroutine `chem': lsfp_chem1.f:254: CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:257: CH2(I)=CH(I) - PHI_CHEM_H(TEMP(I),X1(6:10)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:271: DH1(1)=PHI_CHEM_H(Tint,X1(6:10)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:272: & -PHI_CHEM_H(Tint,X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:278: DH1(2)=DLTH - PHI_CHEM_H(298.15D0,X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:312: CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:315: CS2(I)=CS(I) - PHI_CHEM_S(TEMP(I),X1(6:10)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:328: DS1(1)=PHI_CHEM_S(Tint,X1(6:10)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:329: & -PHI_CHEM_S(Tint,X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) lsfp_chem1.f:335: DS1(2)=S_298 - PHI_CHEM_S(298.15D0,X1(1:5)) 1 2 Invalid token at (2) in expression or subexpression at (1) make: *** [lsfp_chem1.o] Error 1 At 03:39 PM 4/5/2007, you wrote: Hi Olivier, Unfortunately, it sounds like your system does not have g95 installed. You are correct that this is an issue with a Fortran compiler. You should be able to download a Linux version of g95 from http://ftp.g95.org/[1] . If you need further guidance with this, let me know. The g95 functions as a Fortran 90 compiler. If your system has a different Fortran 90 compiler, let me know, and I may be able to adjust the makefile so that you don't need to get g95. Greg Quoting Olivier Herbinet <her...@ll...>: Hi Greg. Thank you for the new "makefile" file. I have a new problem with the "make" command. I suppose that g95 has something to do with the fortran compiler. Thank you. Olivier yana4{herbinet}26: make g95 -c daxpy.f make: g95: Command not found make: *** [daxpy.o] Error 127 At 02:44 PM 4/5/2007, you wrote: Hi Olivier, Sorry for the previous confusion. I have attached a "Makefile" which should work. What you can do is replace the existing "Makefile" in the ...software/GATPFit/GATPFit directory with the attached file. Then, you can retry Step 4. Let me know if you have any problems. Thanks again, Greg Quoting Olivier Herbinet <her...@ll...>: Hi Greg. Thank you for contacting us. I am using C shell (I have to tell you that I am not familiar with Linux) and I have some difficulties for installing the RMG software (I installed it on my laptop and it works very well. I could do some trials and I am very impressed by the results). I downloaded the new release of RMG and the corresponding manual of installation. I could performed the three first steps on pages 3 and 4. I had some trouble at the fourth step. Here is the message I got when I typed the "make" command: yana4{herbinet}27: cd GATPFit /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit yana4{herbinet}28: make make: *** No targets. Stop. I hope you can help me with this issue. Thanks. Olivier Links: ------ [1] http://ftp.g95.org/ ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 00:54:36
|
----- Forwarded message from gm...@mi... ----- Date: Thu, 05 Apr 2007 18:39:42 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, Unfortunately, it sounds like your system does not have g95 installed. You are correct that this is an issue with a Fortran compiler. You should be able to download a Linux version of g95 from http://ftp.g95.org/ . If you need further guidance with this, let me know. The g95 functions as a Fortran 90 compiler. If your system has a different Fortran 90 compiler, let me know, and I may be able to adjust the makefile so that you don't need to get g95. Greg Quoting Olivier Herbinet <her...@ll...>: > Hi Greg. > > Thank you for the new "makefile" file. > I have a new problem with the "make" command. > I suppose that g95 has something to do with the fortran compiler. > Thank you. > Olivier > > yana4{herbinet}26: make > g95 -c daxpy.f > make: g95: Command not found > make: *** [daxpy.o] Error 127 > > At 02:44 PM 4/5/2007, you wrote: > Hi Olivier, > Sorry for the previous confusion. I have attached a "Makefile" which > should > work. What you can do is replace the existing "Makefile" in the > ...software/GATPFit/GATPFit directory with the attached file. Then, > you > can retry Step 4. > > Let me know if you have any problems. > > Thanks again, > Greg > > Quoting Olivier Herbinet <her...@ll...>: > > Hi Greg. > > Thank you for contacting us. > > I am using C shell (I have to tell you that I am not familiar with > Linux) and I have some difficulties for installing the RMG software > (I installed it on my laptop and it works very well. I could do some > trials and I am very impressed by the results). > I downloaded the new release of RMG and the corresponding manual of > installation. > I could performed the three first steps on pages 3 and 4. > I had some trouble at the fourth step. Here is the message I got when > I typed the "make" command: > > yana4{herbinet}27: cd GATPFit > /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit > yana4{herbinet}28: make > make: *** No targets. Stop. > > I hope you can help me with this issue. > Thanks. > > Olivier ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 00:51:34
|
----- Forwarded message from her...@ll... ----- Date: Thu, 05 Apr 2007 15:10:58 -0700 From: Olivier Herbinet <her...@ll...> Reply-To: Olivier Herbinet <her...@ll...> Subject: Re: Reaction Mechanism Generator (RMG) To: Gregory Magoon <gm...@mi...> Hi Greg. Thank you for the new "makefile" file. I have a new problem with the "make" command. I suppose that g95 has something to do with the fortran compiler. Thank you. Olivier yana4{herbinet}26: make g95 -c daxpy.f make: g95: Command not found make: *** [daxpy.o] Error 127 At 02:44 PM 4/5/2007, you wrote: Hi Olivier, Sorry for the previous confusion. I have attached a "Makefile" which should work. What you can do is replace the existing "Makefile" in the ...software/GATPFit/GATPFit directory with the attached file. Then, you can retry Step 4. Let me know if you have any problems. Thanks again, Greg Quoting Olivier Herbinet <her...@ll...>: Hi Greg. Thank you for contacting us. I am using C shell (I have to tell you that I am not familiar with Linux) and I have some difficulties for installing the RMG software (I installed it on my laptop and it works very well. I could do some trials and I am very impressed by the results). I downloaded the new release of RMG and the corresponding manual of installation. I could performed the three first steps on pages 3 and 4. I had some trouble at the fourth step. Here is the message I got when I typed the "make" command: yana4{herbinet}27: cd GATPFit /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit yana4{herbinet}28: make make: *** No targets. Stop. I hope you can help me with this issue. Thanks. Olivier ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 00:10:37
|
----- Forwarded message from gm...@mi... ----- Date: Thu, 05 Apr 2007 17:44:46 -0400 From: Gregory Magoon <gm...@mi...> Reply-To: Gregory Magoon <gm...@mi...> Subject: Re: Reaction Mechanism Generator (RMG) To: Olivier Herbinet <her...@ll...> Hi Olivier, Sorry for the previous confusion. I have attached a "Makefile" which should work. What you can do is replace the existing "Makefile" in the ...software/GATPFit/GATPFit directory with the attached file. Then, you can retry Step 4. Let me know if you have any problems. Thanks again, Greg Quoting Olivier Herbinet <her...@ll...>: > Hi Greg. > > Thank you for contacting us. > > I am using C shell (I have to tell you that I am not familiar with > Linux) and I have some difficulties for installing the RMG software > (I installed it on my laptop and it works very well. I could do some > trials and I am very impressed by the results). > I downloaded the new release of RMG and the corresponding manual of > installation. > I could performed the three first steps on pages 3 and 4. > I had some trouble at the fourth step. Here is the message I got when > I typed the "make" command: > > yana4{herbinet}27: cd GATPFit > /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit > yana4{herbinet}28: make > make: *** No targets. Stop. > > I hope you can help me with this issue. > Thanks. > > Olivier ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-18 00:06:44
|
(below is the first in a series of e-mails that I am forwarding to the RMG mailing list for archival to assist other users who may encounter similar issues) ----- Forwarded message from her...@ll... ----- Date: Thu, 05 Apr 2007 13:43:03 -0700 From: Olivier Herbinet <her...@ll...> Reply-To: Olivier Herbinet <her...@ll...> Subject: Re: Reaction Mechanism Generator (RMG) To: Gregory Magoon <gm...@mi...> Hi Greg. Thank you for contacting us. I am using C shell (I have to tell you that I am not familiar with Linux) and I have some difficulties for installing the RMG software (I installed it on my laptop and it works very well. I could do some trials and I am very impressed by the results). I downloaded the new release of RMG and the corresponding manual of installation. I could performed the three first steps on pages 3 and 4. I had some trouble at the fourth step. Here is the message I got when I typed the "make" command: yana4{herbinet}27: cd GATPFit /g/g92/herbinet/RMG/RMG_2_00/software/GATPFit/GATPFit yana4{herbinet}28: make make: *** No targets. Stop. I hope you can help me with this issue. Thanks. Olivier ----- End forwarded message ----- |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-04-07 17:44:50
|
I have noticed that there is a potential conflict between g95 and the Java Development Kit in Windows. In particular, individuals installing RMG may find that they receive an error message when calling the g95 commands during steps for compiling GATPFit and DASSL, with the error message indicating that "as" cannot be executed. In my experience, this appears to have been caused by the presence of a Java directory (e.g. %JAVA_HOME%\bin) in the system "Path" variable (which I had added when installing the Java Development Kit). (Apparently, g95 uses a user "PATH" variable to call "as.exe"). I have found that temporarily removing the Java directory from the system "Path" variable (within Control Panel->System->Advanced->Environment Variables) allows g95 to be run without problem. When g95 steps are complete, the Java directory can be replaced within the system "Path" variable. If anyone encounters the "as" error above and would like assistance, feel free to contact me and I will try to help. Greg |
From: Claude F. G. <cfgold@MIT.EDU> - 2007-04-03 19:10:29
|
Hi Judit, Each J stands for a radical (not sure why 'J', to be honest). Yes, for some reason ChemGreen has problems with radicals. When you try to view the species, does it lump everything in the same spot? Or does it just look like a mess? The connectivity data is definitely still there, so you should be able to unpack the molecule. Basically just click on the atoms and drag them out of the way. Eventually you will be able to tease out the structure (what's connected to what, etc). It is kind of tedious right now, but it will work. This was an old bug with ChemGreen; we had an intermediate version that had it fixed. We've contacted the author of ChemGreen to let him know, so we should have this bug fixed soon. Thanks for picking up on the discrepancies with the manual. Much of the manual was written for the old beta version, and sometimes it is hard to remember what was changed. We'll definitely make the updates. Please keep the questions, comments, and observations coming. They are a huge help to us. Cheers, Franklin Zador, Judit wrote: > Hi Franklin, > > I have a quick question, for which I could not find the answer in the > manual: > > - I get species like this: C2H4OJJ What does J stand for? These > structures do not display properly in the ChemGreen program. > > And some notes for the manual, maybe you can use this later on: > - There is no therm.dat as stated on p. 16 of the manual, the > thermodynamic data is in the chem.inp file > - The description of the "Final Model.txt" in the manual does not > match with the actual file. > > Have a nice day, > Judit > |
From: Franklin G. <cfgold@MIT.EDU> - 2007-04-03 15:09:25
|
Database: RMG_database PrimaryThermoLibrary: PrimaryThermoLibrary TemperatureModel: Constant 1000 (K) PressureModel: Constant 50 (atm) InitialStatus: (1) CH2CH2OH 1.e-9 (mol/cm3) 1 C 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 H 0 {1,S} 4 C 0 {1,S} {5,S} {6,S} {7,S} 5 H 0 {4,S} 6 H 0 {4,S} 7 O 0 {4,S} {8,S} 8 H 0 {7,S} (3) O2 1.e-8 (mol/cm3) 1 O 0 {2,D} 2 O 0 {1,D} END InertGas: N2 2.e-3 (mol/cm3) END ReactionModelEnlarger: RateBasedModelEnlarger FinishController: RateBasedFinishController (1) Goal ReactionTime: 0.001 (sec) (2) Error Tolerance: 0.1 DynamicSimulator: DASSL TimeStep: 0.0001 0.0002 0.0004 0.0006 0.0008 0.0009 Atol: 1e-20 Rtol: 1e-4 PrimaryReactionLibrary: on Name: Leeds Location: RMG_database/primaryReactionLibrary/combustion_core/version5 END |
From: Gregory M. <gmagoon@MIT.EDU> - 2007-03-29 15:17:48
|
This is a test of the RMG Mailing List Greg |