<div dir="ltr">Hi,<div><br></div><div>I've compiled CP2K-V3.0 on CentOS6.6.</div><div>I used the toolscript to download the dependencies.</div><div>I then do source </div><div><br></div><div>source /apps_shared/cp2k/cp2k-3.0/tools/toolchain/install/setup<br></div><div><br></div><div> I can run energy calculations ok when I try to run a more complex GeoOpt I get this message</div><div><br></div><div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                        The specified OLD file                       *</div><div> *  \___/   </Network/Servers/130.60.15.139/Users/c329s00/cp2k-files/GTH_BASIS *</div><div> *    |      _SETS> cannot be opened. It does not exist. Data directory path:  *</div><div> *  O/|                       /apps_shared/cp2k/cp2k-3.0/data                  *</div><div> * /| |                                                                        *</div><div> * / \                                                   common/cp_files.F:398 *</div><div> *******************************************************************************</div></div><div><br></div><div>The directory /apps_shared/cp2k/cp2k-3.0/data/GTH_BASIS_SETS</div><div><br></div><div>is empty.</div><div><br></div><div>Thanks roger</div></div>