I am trying to calculate core level spectroscopy using CASTEP. Each time it keeps saying "~.../share/bin/runMSserver.sh: line 3: program: command not found" and crashes. I checked the above file, and the line 3 goes as
"eval `\$MS_INSTALL_ROOT/share/bin/ms_setup.sh \$MS_INSTALL_ROOT/ -s sh`" I'm not able to debug this error. Also, our group has one license, so I was trying to run through license holder's account. The job runs in his account but crashes in mine, even I have all the required permissions. The *.castep file at the end shows the "Error: ion_set_Q_at_origin_recip: error opening page file" and then crashes.
Hope to receive some help in debugging this error.
"eval `\$MS_INSTALL_ROOT/share/bin/ms_setup.sh \$MS_INSTALL_ROOT/ -s sh`" I'm not able to debug this error. Also, our group has one license, so I was trying to run through license holder's account. The job runs in his account but crashes in mine, even I have all the required permissions. The *.castep file at the end shows the "Error: ion_set_Q_at_origin_recip: error opening page file" and then crashes.
Hope to receive some help in debugging this error.
