Theresa,
We've got them compiled.
Don't know how to test it. Could you please see if it works ?
module load mddnmr
module load mddgui
Let us know.
The real location is at
/software/mddgui/June2009/bin
/software/mddnmr/mddnmr1.6/{bin,com}
Thanks,
Robin
On 8/24/11 12:51 PM, "Ramelot, Theresa A. Dr." <[log in to unmask]> wrote:
>Since Dave is out-of-office, I'm sending this to rescomp.
>
>-Theresa
>
>------ Forwarded Message
>From: "Ramelot, Theresa A. Dr." <[log in to unmask]>
>Date: Wed, 24 Aug 2011 12:49:19 -0400
>To: "Woods, David M. Dr." <[log in to unmask]>
>Subject: NUS_MDD
>
>Hi Dave,
>
>I have some software that I would like to run in parallel on redhawk.
>Currently I am running it out a single processor on my linux machine,
>Pike,
>and it takes about 5-7 hours to "process" one NMR data set.
>
>NUS is non-uniform sampling, which is a special way of saving time in our
>NMR data collection. The MDD, or multi-dimensional decomposition, method
>for processing the NUS data.
>
>I put the software on redhawk in ~ramelota/NUS_MDD
>called: mddgui.June2009.tar.gz
>and: mddnmr1.6_11Sep08.tar
>
>The step-by-step Installation procedure for the mddnmr1.6 is:
>1. Uncompress and unfold the archive. 2. Read Copyright. 3. Change
>directory
>to mddnmr1.6 and run command
>./Install
>4. Add the program directory to your .cshrc file. Assuming that the
>package
>is installed in '~/mddnmr1.6' (full path), add the following lines to your
>.cshrc (or similar file):
>setenv MDD_NMR Œ~/mddnmr1.6¹ set path=( $path . ${MDD_NMR}/bin
>${MDD_NMR}/com )
>5. To install examples unfold corresponding Unix tar archives in your
>preferable data location directory.
>
>I don't have instructions for the mddgui, but I think it was easy to
>install.
>
>The only special instructions is that after the mddgui install, go to:
>/software/mddgui
>move the mddnmr1.2c to mddnmr1.2c.save
>ln -s /software/mddnmr1.6/binLinux64/mddnmr mddnmr1.2c
>
>Then I can try it out. It uses nmrPipe and nmrDraw, but these are already
>installed on redhawk.
>
>I'm hope that you aren't too crazy busy now that the students are back.
>
>-Theresa
> ____________________________________
> Theresa Ramelot, PhD
> Senior Research Scholar
> 105 Hughes Laboratory
> Department of Chemistry and Biochemistry, Miami University
>
> FedEx address:
> 701 E. High Street
> Department of Chemistry and Biochemistry, Miami University
> Oxford, OH 45056
>
> lab phone: (513) 529-0283
> cell phone: (513) 593-2402
> fax: (513) 529-5715
> ______________________________________
>
>
>
>
>------ End of Forwarded Message
>
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