Running ORCA on Expanse Andrew Isho https://conferences.xsede.org/c/message_boards/find_message?p_l_id=&messageId=2694422 2021-03-21T04:07:26Z 2021-03-17T01:26:31Z

Hello,<br /><br />I received a start-up allocation for expanse and have been trying to run geometry optimizations for a research project. I have previous experience from a class I took in my graduate program but we submitted our jobs to the Comet cluster. My teacher provided us with the a bash file template and we used a script that called on ORCA from my teacher&#039;s home directory. I tried installing ORCA on Expanse by downloading the tar.xz file from the ORCA forum and transferring the file to my home directory on the Expanse cluster. I then tried to install ORCA on Expanse by using the tar -xf command and received the following:<br /><br />xz: (stdin): File format not recognized<br />tar: Child returned status 1<br />tar: Error is not recoverable: exiting now<br /><br />I&#039;m not sure if I am using the wrong command, but from my understanding Expanse runs on CentOS, so I don&#039;t know why this command wouldn&#039;t work.<br /><br />Has anyone else encountered this error or know how I can install ORCA to run on Expanse?

Andrew Isho 2021-03-17T01:26:31Z