[27700] in Athena Bugs
Debathena: qchem
daemon@ATHENA.MIT.EDU (fanhe@mit.edu)
Tue Sep 8 14:22:35 2015
Date: Tue, 8 Sep 2015 14:22:26 -0400
From: fanhe@mit.edu
Message-Id: <201509081822.t88IMQ79028924@outgoing.mit.edu>
To: bugs@mit.edu
Errors-To: bugs-bounces@mit.edu
System name: ubuntu
Type: x86_64
Display type: VMware SVGA II Adapter
Shell: /bin/athena/bash
Window manager: unknown
Desktop session: ubuntu
1) What were you trying to do?
I am trying to run qchem and iqmol on the debathena package which is installed on my virtue machine ubuntu 14.04.
2) What happened?
After I "setup qchem" and try to run a calculation by typing: "qchem propane.in propane.out" The program always failed to run and gave me the error message in the output files saying: "license checl failed for the 0th node ubuntu sid0C29CE015A" and then aborted the job.
Also, when I type iqmol,the error meaage is : error while loading shared libraries: libopenbabel.so.4: cannot open shared object file: NO such file or directory.
3) What should have happened?
qchem propane.in propane.out & should run and finish successfully after a few seconds on an athena workstation.
iqmol GUI should open after type in "iqmol" in the qchem command line window.
4) Does this problem happen only on this workstation, or other workstations?
I tried to run qchem and iqmol on other athena workstations, they all worked well.
5) If you were following instructions, please include the URL or a
description of the documentation:
(e.g. a "problem set for 18.03" or http://ist.mit.edu)
I wonder whether I lack the lockers of these softwares, such that I could not run them correctly on my own debathena. Could you give me further instruction on how to obtain the lockers of these softwares?
Also, Bob in the IST service center has been helping me with this problem and created a ticket for my case: 3389525. If necessasry, could you please contact him or myself for more information. Thank you very much!
