On Sat, 23 May 2015 09:36:31 -0400 "Sephen P. Molnar" <s.mol...@sbcglobal.net> wrote:
> VI am running Wheezy (v-7.8.0) in a VM and have encountered rather a > strange problem .with an application, MOPAC (a well established > quantum chemistry program). > > The application is installed in /opt/mopac (required by the > executable) and, in order to execute the program the following is an > entry in the user .bashrc: > > LD_LIBRARY_PATH="/opt/mopac/MOPAC2012.exe:$LD_LIBRARY_PATH" This is an obvious thing that jumps out at me, this line should be: LD_LIBRARY_PATH="/opt/mopac:$LD_LIBRARY_PATH" as LD_LIBRARY_PATH is meant to contain directories where shared libraries can be found, not an executable binary. In this case, I expect that the shared libraries will not be found, since the loader will look for them in a _directory named_ "MOPAC2012.exe", not "/opt/mopac". > export LD_LIBRARY_PATH > alias mopac='/opt/mopac/MOPAC2012.exe' > > The permissions for /opt/mopac are: drwxrwxrwx > > > (I should note at this point that this works flawlessly in my > production machine.) Maybe there are copies of the libraries in another directory that the loader searches, or "/opt/mopac" is listed in "/etc/ld.so.conf". > comp@inga:~$ /opt/mopac/MOPAC2012.exe > /opt/mopac/MOPAC2012.exe: error while loading shared libraries: > libiomp5.so: can > not open shared object file: No such file or directory > > The workaround is to copy the argument to /opt/mopac, run the > executable for the calculation, and then transfer the results to the > working directory. > > This is most inconvenient and I would really appreciate a solution to > the problem. Try fixing the line that sets LD_LIBRARY_PATH, or adding "/opt/mopac" to "/etc/ld.so.conf" and run ldconfig to update the cache. Petter -- "I'm ionized" "Are you sure?" "I'm positive."
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