Hi,
> problem again,i have my gamess installed in
> home/administrator not in usr /local so when i am setting path through
> home/administrator i am getting the same problem. when i am trying to
> install it in usr/local permission is denied. can u help me out plz. i will
> be thankful if u plz tell me how to update LD_LIBRARY_PATH to find
> required library. hope u help me. thanks in advance.
installing in /usr/local is general and allows sharing the
installation among users.
you can also install gamess in your home directory; update the .cshrc
file accordingly if you use csh/tcsh or the .bashrc file if you use
bash.
regards, Francois
PS
a google search of LD_LIBRARY_PATH leads to:
http://tldp.org/HOWTO/Program-Library-HOWTO/shared-libraries.html
http://www.wiredrevolution.com/system-administration/how-to-correctly-use-ld_library_path
> On Fri, Aug 31, 2012 at 11:43 AM, shomesankar bhunia <
> rightclickatrighttime.gmail.com> wrote:
>
>> Thank you very much for the support. Now i have to do my job.have a nice
>> time.
>>
>>
>> On Fri, Aug 31, 2012 at 2:06 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
>>
>>> Dear Shomesankar Bhunia,
>>>
>>> See http://q4md-forcefieldtools.org/RED/documentation.php
>>> Manuals available for R.E.D. III.x:
>>> - Using the R.E.D.-III.3 tools
>>> - Using the R.E.D.-III.4 tools
>>> - Using the R.E.D.-III.5 tools & history file
>>> - Using R.E.D.-III.x on Mac OS
>>> - Using R.E.D.-III.x on Windows OS
>>>
>>> Below are examples of .cshrc file for csh/tcsh.
>>> to be updated using: cd && source .cshrc
>>>
>>> RESP, Gaussian, GAMESS and Firefly programs are installed in /usr/local
>>>
>>> -------- resp + gaussian 09 ----------
>>> # QM scratch
>>> setenv GAUSS_SCRDIR /tmp
>>> setenv g09root /usr/local
>>> source $g09root/g09/bsd/g09.login
>>> # using the standalone RESP version at
>>> http://q4md-forcefieldtools.org/RED/resp/
>>> set path = ($path /usr/local/resp-2.2)
>>> # using the RESP version from AmberTools
>>> # set path = ($path $AMBERHOME/bin)
>>> --------------------------------------
>>>
>>> -------- resp + gamess --------------
>>> # you might update LD_LIBRARY_PATH to find required libraries
>>> # GAMESS_SCRDIR is defined in the /usr/local/gamess/rungms script
>>> set path = ($path /usr/local/resp-2.2 /usr/local/gamess)
>>> --------------------------------------
>>>
>>> -------- resp + firefly/pc-gamess ----
>>> # you might update LD_LIBRARY_PATH to find required libraries
>>> setenv PCGAMESS_SCRDIR /tmp
>>> set path = ($path /usr/local/resp-2.2 /usr/local/firefly
>>> /user/local/openmpi32/bin)
>>> --------------------------------------
>>>
>>> regards, Francois
>>>
>>>
>>> > Thanks again, but i am not getting anything when i type "which resp".
>>> Can
>>> > you please hint me what necessary things i have to do so that i can
>>> > interface GAMESS and RESP with REDIII.5, that will be very helpful.
>>> >
>>> > On Fri, Aug 31, 2012 at 12:51 AM, Jason Swails <jason.swails.gmail.com
>>> >wrote:
>>> >
>>> >> Because AMBERHOME/bin may not be in your PATH. Do you find the command
>>> >> when you type "which resp"?
>>> >>
>>> >>
>>> >> On Thu, Aug 30, 2012 at 3:04 PM, shomesankar bhunia <
>>> >> rightclickatrighttime.gmail.com> wrote:
>>> >>
>>> >> > Thanks jason for your help.As gaussian is not free, i will try
>>> >> GAMESS,but i
>>> >> > have already installed amber tools in my system than why it is
>>> displaying
>>> >> > RESP not found? Thanks in advance.
>>> >> >
>>> >> > On Thu, Aug 30, 2012 at 2:55 PM, Jason Swails <
>>> jason.swails.gmail.com
>>> >> > >wrote:
>>> >> >
>>> >> > > On Thu, Aug 30, 2012 at 2:49 PM, shomesankar bhunia <
>>> >> > > rightclickatrighttime.gmail.com> wrote:
>>> >> > > >
>>> >> > > > * Software checking *
>>> >> > > > Gaussian [ NOT FOUND ]
>>> >> > > >
>>> >> > >
>>> >> > > You need to install Gaussian, or use one of the alternative
>>> programs.
>>> >> > >
>>> >> > >
>>> >> > > > resp [ NOT FOUND ]
>>> >> > > >
>>> >> > >
>>> >> > > You also need to install resp (which you can do by installing
>>> >> > AmberTools).
>>> >> > >
>>> >> > > The error messages in this case point out what the problem is, so
>>> don't
>>> >> > be
>>> >> > > afraid to try stuff out.
>>> >> > >
>>> >> > > HTH,
>>> >> > > Jason
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Received on Fri Aug 31 2012 - 22:30:02 PDT
