I am attempting to use Pipeline Pilot to submit jobs to a grid running SGE 6_2 from Discovery Studio.
I get this error on the DS client:
[2013-05-28 15:34:21] ------------------------------------
[2013-05-28 15:34:21] Protocol Name = 'Standard Dynamics Cascade'
[2013-05-28 15:34:21] User Name = 'abc01'
[2013-05-28 15:34:21] Run ID = '{F15507A1-E2F3-225D-C90E-D4B60D6721FB}'
[2013-05-28 15:34:21] Client message: 'Step 1/5: Minimization_1'
[2013-05-28 15:34:23] Client message: 'Running forcefield tools...'
[2013-05-28 15:34:23] Started running 'ForcefieldTool'
[2013-05-28 15:34:39] Finished running 'ForcefieldTool'
[2013-05-28 15:34:39] Client message: 'ForcefieldTool finished successfully.'
[2013-05-28 15:34:40] Client message: 'Generating CHARMm Script...'
[2013-05-28 15:34:40] Client message: 'CHARMm minimization...'
[2013-05-28 15:34:40] Started running 'RunCHARMm'
[2013-05-28 15:34:42] Finished running 'RunCHARMm'
[2013-05-28 15:34:42] [ERROR] CHARMm has failed to run. Please make sure the server has correctly configured license and sufficient free memory to run the job.
[2013-05-28 15:34:42] Client message: 'CHARMm has failed to run. Please make sure the server has correctly configured license and sufficient free memory to run the job.'
[2013-05-28 15:34:42] [ERROR] --- Start RunCHARMm_stderr.txt ---.
/home/pp/Accelrys/pp85/apps/scitegic/dscore/server/bin/../lib64/charmm: error while loading shared libraries: libls_license64_g411.so: cannot open shared object file: No such file or directory
[2013-05-28 15:34:42] [ERROR] --- End RunCHARMm_stderr.txt ---
The Charmm file exists here:
/home/pp/Accelrys/LicensePack/linux/lib/libls_license64_g411.so
Is there a global variable that I can set in the administration portal (or a configuration file) that would make Pipeline Pilot look in the correct location for the license file?
I tried setting a global for LD_LIBRARY_PATH, but that did not work.
Thanks,
Paula
