AMBER Archive (2000)

Subject: xleap problem

From: Thomas A. Spraggins (tas_at_holmes.acc.virginia.edu)
Date: Wed Jul 19 2000 - 18:39:32 CDT


One of our users reports the problem detailed below. I'm not finding
anything in the docs on this. Does anyone have any ideas?

We may have munged something with our multi-platform installation. We
have set up things like /common/amber6/exe with shell scripts which
determine a user's OS, then dispatch <executable-name> to places like
/common/amber6/exe/bin.<OSname>/<platform-specific-executable>.

What should things like XENVIRONMENT and XAPPLRESDIR be set to generally?

Thanks in advance.

Tom Spraggins
tas_at_virginia.edu

---------- Forwarded message ----------
Date: Tue, 18 Jul 2000 13:51:02 -0400 (EDT)
From: gail louise dempsey <gd2f_at_cms.mail.Virginia.EDU>
To: Thomas A. Spraggins <tas_at_cms.mail.Virginia.EDU>
Cc: gail louise dempsey <gd2f_at_cms.mail.Virginia.EDU>
Subject: AMBER

Tom:

Sorry for not being completely prepared a few minutes ago on the phone.
Here are the commands and the errors I have been getting.

1. I have been using the sgi-6.unixlab computer most recently. I log in
and
then type 'tcsh'. I have the following lines in my ~/.variables.csh file.

set path = ( . $home/data \
               $home/bin \
               $path /common/amber6/exe \
               $home/programs/bin \

setenv AMBERHOME /common/amber6

2. I have the following lines in my ~/.cshrc file:
setenv AMBERHOME /common/amber6

3. When I type the command 'xleap' I get the following message:

sgi-6: /net/hsm/jlg/gd2f/unixfiles/amberfiles % xleap
-I: Adding /common/amber6/dat to search path.
-I: Adding /common/amber6/dat/leap/lib to search path.
-I: Adding /common/amber6/dat/leap/cmd to search path. Wcl
Error: WcWidgetCreation(xaLeap) - Failed
    Problem: No children could be created from Xrm database.
    Possible: Resource file not found
                user environment:
                        XENVIRONMENT is not set,
                        XAPPLRESDIR not terminated with '/'
                user environment or installation:
                        $XENVIRONMENT/XaLeap does not exist.
    Possible: top level widget in resource file not named 'xaLeap' Error:
Shell widget xaLeap has zero width and/or height

4. I have been trying to do the tutorial on page 15 of the AMBER Manual
(Version 6) using tleap. Everything SEEMS to work until I try to run the
script
described on page 16.

/net/hsm/jlg/gd2f/unixfiles/amberfiles % amberManualpage16.script
 namelist read: cannot position within current file apparent state: unit 5
named
min.in last format: namelist io Unit 5 is a sequential formatted external
file *** Execution Terminated (170) ***

If I run the script again, I get the following error.

sgi-6: /net/hsm/jlg/gd2f/unixfiles/amberfiles % amberManualpage16.script
  Unit 6 Error on OPEN: 6pti.min1.out

If I remove the files 6pti.min1.out and min.in, and then run the script
again, I get the first error.

namelist read: cannot position within current file apparent state: unit 5
named min.in last format: namelist io Unit 5 is a sequential formatted
external file *** Execution Terminated (170) ***

I would greatly appreciate any assistance and advice you can provide.

Sincerely,
Gail Dempsey
gd2f_at_virginia.edu