This is probably what led to the confusion. If you're not using csh (or any
of its derivatives), then this file will not likely be used, so anything you
put in here will probably be useless.
Furthermore, you weren't setting any of those variables as environment
variables. I'll echo Dave's advice and suggest that you read up on basic
Linux concepts (linux from the command-line) before you try to dive into
(most) computational chemistry programs.
HTH,
Jason
On Thu, Jun 16, 2011 at 12:15 AM, souvik sur <souviksur.hotmail.com> wrote:
>
> Hello,
>
> I have made the .cshrc file in /home/souvik directory as I have installed
> amber9 in /home/souvik/Amber9/amber9
>
> [souvik.masternode amber9]$ pwd
> /home/souvik/Amber9/amber9
> [souvik.masternode amber9]$ ls
> amber11 benchmarks bugfix.all doc exe info lib
> patch-rejects share test
> AmberTools bin dat examples include INSTALL
> mpich2-1.3.2p1 README src
> [souvik.masternode amber9]$ cd /home/souvik/
> [souvik.masternode ~]$ ls -a
> .
> .bash_history .bashrc.old .cshrc.swn .dmrc .gconfd
> .gstreamer-0.10 .metacity New folder .ssh
> .zshrc
> .. .bash_logout .bashrc.swp .cshrc.swo .eggcups
> .gnome .gtkrc-1.2-gnome2 .mozilla .recently-used.xbel
> .thumbnails
> amber .bash_profile .cshrc .cshrc.swp
> .emacs .gnome2 .ICEauthority mpich2-1.3.2p1
> .redhat .Trash
> Amber9 .bashrc .cshrc.swm
> Desktop .gconf .gnome2_private .kde
> .nautilus .scim .viminfo
> [souvik.masternode ~]$
>
>
> and in .cshrc file I wrote the script:
>
> MPI_HOME=/home/souvik/Amber9/amber9/mpich2-1.3.2p1
> AMBERHOME=/home/souvik/Amber9/amber9
>
> LD_LIBRARY_PATH=/data/garima/intel/Compiler/11.1/072/lib/intel64:/data/garima/intel/mkl/
> 10.2.5.035/lib/64:/data/garima/softwares/mpich2/mpich2-install/lib
> set path = $AMBERHOME/exe $MPI_HOME/bin:$path
>
>
>
>
> regards,
> Souvik Sur
> Ph. D. Student
> Department Of Chemistry
> University Of Delhi
> India
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Jun 17 2011 - 09:30:04 PDT
