error while running run_EXTORCA.sh after execution of setup_orca_opt.py

[Kalpa08]

Dear developers I was doing the trajectory calculation ( #48 ). In the "2.9.6 Optimizing from Hopping Geometries" of the sharc tutorial I ran setup_orca_opt.py command. After that the said directories and files were created. but while running the run_EXTORCA.sh script I found the following error.

[kalpa@compute geom_9]$ tail orca.log | 16> | 17> | 18> END OF INPUT

                   ****************************
                   * Single Point Calculation *
                   ****************************

Calling otool_external orca_EXT.extinp.tmp ... [file orca_main/run.cpp, line 12331]: ORCA finished with error return - aborting the run [kalpa@compute geom_9]$

---

Run script was: [kalpa@compute geom_9]$ cat run_EXTORCA.sh #!/bin/bash

#$-N orca_opt

PRIMARY_DIR=/home/kalpa/CALC/sharc/tutorial2/traj/orca_opt/geom_9/ cd $PRIMARY_DIR

export PATH=$SHARC:$PATH

orca orca.inp > orca.log

[kalpa@compute geom_9]$

[kalpa@compute geom_9]$ echo $SHARC /opt/SOFTWARES/sharc/3.0/sharc-3.0.0/bin [kalpa@compute geom_9]$

Can you please let me know any way that I can overcome from this problem?