Re: Amber: Compiling Amber 8 For Mac

[AMBER] Boost not linking when compiling on Mac. This message. [ Message body] [ More options. > culprit in the sqm related issue in the parallell version of amber. Now, > this is where it gets strange, when antechamber failed on sqm it did report. > between Mac and Brew, I am sure that either sorting out the priorities.

• Re Amber Compiling Amber 8 For Macbook Pro

AMBER Archive (2004) - AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1.Re: AMBER: SUSE 9.1 and AMBER 8 AMBER Archive (2004) Subject: AMBER: Re: INSTALLATION GUIDE FOR IFORT AND AMBER8 IN LINUX SUSE 9.1.Re: AMBER: SUSE 9.1 and AMBER 8 From: Ilyas Yildirim Date: Wed Dec 01 2004 - 15:12:49 CST. Next message:.

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Messages sorted by: Dear AMBER List Members, I could not respond you back for the last two weeks. I have installed AMBER 8 to my laptop.

I am writing this email to people who are using SUSE Linux 9.1 and having trouble with AMBER 8 installation. I have a DELL 5100 Inspiron, and will use my computer to prepare amber.pdb files using xleap, before doing the simulations in a cluster. So, if you are a beginner like me in SUSE 9.1, I hope this will be useful for you. The SUSE Linux 9.1 version I am using is the personal version. After installing SUSE 9.1, it was clear that not everything was installed (like gcc lib.

Files) The Personal SUSE Linux 9.1 is just 1 CD and does not install a lot of things. In order to include the libraries needed to compile AMBER 8, you have to install the packages using YaST. YaST is the most important program (at least it seems for me) in SUSE 9.1 which lets u install the packages.

It is like Windows XP Update. The only problem is that you have to specify the Source of Installation. If you do not specify the source (a new source), it will use the CD. Again, the 1 CD of SUSE 9.1 does not have all the packages. So, what you have to do is go to YaST Change Source of Installation Add FTP server: (chose the best server from ) directory: pub/suse/i386/9.1 This will add a new source to your installation. Then, use the search option of 'Install and Remove Software' module of YaST. For instance, if you need to install gcc, write gcc in the search area, and press enter.

This will show you the packages installed or not installed. So, chose the ones you need, and install those packages.

One other thing, if you have trouble with SUSE 9.1, the best thing is to go to some linux forums, like. It is very helpful because there are people who had the same problems.

Moreover, you can ask any questions you want and someone will respond you back. (Like AMBER Mailing List) Another important thing is the Intel Fortran Compiler. I have tried the ifort ver.8.1 but could not compile AMBER 8. (PS: I tried this 2 weeks ago, before installing the missing lib files.

Maybe it will work) I have installed the ifort 8.0 and the compilation went well. I tried to follow Cenk's Installation Manual for ifort, but could not install it. The best thing is to follow the README file of ifort, step by step. (In Cenk's procedure, there was this DIRECTORY problem, which is the directory ifort is installed. It did not show the installed directory, and as a result, gave a directory problem) I do not remember where I have downloaded the ifort ver.8.0; someone gave the website in this mailing list.

The reason why I am telling you this is because when you go to the INTEL's website, they will let you download the latest version of ifort, namely ver.8.1. As I said above, maybe this version of ifort will compiler AMBER 8 after installing all the lib files needed, but I did not try it. 8.0 definitely works.

There was another problem while I was compiling AMBER 8. It gave an error on X11/Intrinsic.h and X11/ShellP.h files, saying that it cannot find those files.

These are x windows files, and the package needs to be installed. The name of the package that needs to be installed using YaST is Xfree86 (or Xfree86-devel, not sure about the name).

After installing this package, I did not have any trouble. And compiled AMBER 8. I hope this will help to people who are using SUSE 9.1.

Re Amber Compiling Amber 8 For Macbook Pro

Ilyas Yildirim -Department of Chemisty -University of Rochester -Hutchison Hall, Office B10 - Ph.:(585) 503 44 00 (Cell) -Rochester, NY - Ph.:(585) 275 67 66 (Office) - On Tue, 16 Nov 2004, Cenk Andac wrote: I am sending you my personal guide flines for installation of ifort and amber8 in Linux Suse 9.1. Let me know it works for you.