mddnmr2.0 set up on Fedora 14

[Andrew Brentnall]

Dear all,

I've recently tried installing the software on Fedora 14 but so far
have been unsuccessful. When I run the installation script the final
line of the output is 'Unknown Linux platform'.

Is this an issue specific to Fedora, and does anyone have any advice
on how to fix the problem?

Many thanks,

Andy

[Vladislav Orekhov]

Please try new version of the program
http://pc8.nmr.gu.se/~mdd/Downloads/mddnmr2.0.tgz

There is an additional build for CentOS 4.9 , which may work.

You may also try to run manually mddsolver program from different bin*
directories. This may give you a hint, if the problem can be easily
fixed by installing additional libraries.

Vladislav

[Andrew Brentnall]

Hi Vladislav,

Thanks for your response. When running mddsolver as you suggest it appears to be fine in the binUbuntu32 and binUbuntuStatic directories, though an additional library is required, liblapack.so.3gf. Is this downloadable from somewhere?

Also, when modifying my .cshrc file and do I include paths to the binUbuntu32 directories and set the environment accordingly too?

Many thanks for your help,

Andy 

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[Andrew Brentnall]

Hi Krzysztof,

I did what you suggested and it's all working fine now. 

Many thanks for your help.

Andy

On Thu, Oct 13, 2011 at 11:02 AM, Krzysztof Kazimierczuk <kk...@chem.uw.edu.pl> wrote:

Hi Andy,

Have you tried:

sudo apt-get install liblapack3gf

Concerning .cshrc - in my case mddnmr part is like this:

    setenv MDD_NMR /home/krzysztof/MDD/mddnmr2.0
    setenv MDD_NMRbin ${MDD_NMR}/binUbuntu64

Hope it helps,

Krzysztof Kazimierczuk

W dniu 13.10.2011 11:36, Andrew Brentnall pisze:

Andy 

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Krzysztof Kazimierczuk, PhD
Laboratory of Intermolecular Interactions
University of Warsaw
Zwirki i Wigury 101, 02-089 Warsaw
tel. +48 22 8220211 ext. 421