ECCE Not Running Properly

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Fedora 18 ECCE installation
Hello Mark,

I was able to take a look at installing ECCE under Fedora 18. First, definitely Fedora requires extra work not needed with other Linux versions like Debian and Mint--I'd never recommend Fedora for use with ECCE or otherwise if a choice can possibly be made because I don't find it to be nearly as nice of a user or developer environment in general. It was quite a painful process to get ECCE functional because of missing packages in the Fedora 18 distribution. But, I was able to figure out what packages needed to be installed and got an ECCE binary distribution to run. So, I'd give up on building from source code because that will require even more developer type packages to be installed like the gtk2 ones mentioned previously. I'd also make sure to use Fedora 18 rather than 17 just because I don't have the time to work through the issues on an non-current Linux and given what I found with Fedora 18, I'm sure there would be some Fedora 17 specific issues as well. Hopefully you can just follow what I did and it will work for you. This was a brand new Fedora 18 virtual machine I created so there shouldn't be anything magic with the steps I list here:

1. Download a new ECCE 6.4 64-bit binary distribution. I did have to fix a small bug related to creating thumbnail builder images displayed on the main Calculation Editor window and this fix is in the latest downloads dated March 14, 2013.

2. From a root shell you'll need to "yum install" a few packages before you try installing ECCE. The commands are:
 a.  yum install tcsh
b. yum install ImageMagick
c. yum install xterm
d. yum install perl
e. yum install cpan
f. yum install perl-CPAN

3. Unfortunately the version of perl with Fedora 18 is newer and deprecates some libraries needed for ECCE. This means you need to use cpan to get back these libraries. Without them you'll never be able to create an input file for instance to run an NWChem job and I'm sure that's one of many issues you'd have. I also really struggled with getting cpan not to error out when trying to install these added libraries. Maybe it was just a flaky internet connection between my VM and the CPAN servers, but it wouldn't work at all the first afternoon and then finally worked the next morning. Here's how I got it to work so I'd recommend following this:

Enter the "cpan" command (in a root shell just like the yum install commands) which gives you a cpan command prompt. The first time you do this it may ask you some questions to let it configure cpan. I told it to automatically configure. The one question where I didn't just take the default was when it asked how to get root access. For this I replied "manual" (sudo was another choice at this prompt) because I was running cpan in a root shell already so it shouldn't need to do anything. When the configuration step is done here is the command you need to enter at the cpan prompt: install Perl4::CoreLibs

This told me it had to first install something named ModuleLib or something like that so I let it do that and then it installed CoreLibs, which are the extra libraries needed by ECCE. Pay attention to whether it said there were problems or not with installing the CoreLibs since a failure means you'll have problems down the road running ECCE so somehow you have to get this working. This was the only real tricky and frustrating part about getting ECCE to work on Fedora 18 other than the general lack of packages that most other Linux versions have standard (I don't like the whole look and feel of the standard Fedora window manager either, but that's a different topic).

4. Install the ECCE binary distribution as you would normally do. You don't need to be in a root shell to do this and I wouldn't recommend it unless you are installing ECCE for multiple users and not just yourself.

5. Follow the instructions at the end of the install for sourcing the runtime_setup script and starting the ECCE server.

6. Start the ECCE client GUI with the "ecce" command.

7. I was able to step through the ECCE gateway, organizer, calculation editor, builder, basis set tool, launcher, and calculation viewer to setup and run a simple NWChem calculation--meaning I also ran the NWChem distribution bundled with ECCE.

I didn't exhaustively test ECCE, but that's a lot further than you apparently got. Hopefully this helps. As I mentioned before we don't have the funding to work through issues like this explaining why it's taken a month for me to provide any kind of response. For really simple issues I try to respond in a week or two.

Best regards,
Gary


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