<div dir="ltr"><div>Hi <span class="gmail-il">Columbus</span> Team,<br>I am getting error in single point  mcscf calculation of a very simple molecule. <br></div><div>In working directory the mcscf is not able run for one iteration. <br></div>In the runc error file, I am getting following error. <br>"""<br>end of hernew<br> IGNORING BNDCHK<br>*** End of DALTON calculation ***<br>end of scfpq<br>end of mcdrt<br>end of mcuft<br>forrtl: severe (66): output statement overflows record, unit 36, file /scr/satyam/new-columbus-cal/test/WORK/moints<br>Image              PC                Routine            Line        Source<br>mcscf.x            0000000000C2F846  Unknown               Unknown  Unknown<br>mcscf.x            0000000000C8300C  Unknown               Unknown  Unknown<br>mcscf.x            0000000000C7EFA2  Unknown               Unknown  Unknown<br>mcscf.x            0000000000574D84  Unknown               Unknown  Unknown<br>mcscf.x            0000000000591687  Unknown               Unknown  Unknown<br><div><div><div>""""<br></div><div>I have attached input and ouput file in tar. <div class="gmail_chip gmail_drive_chip" style="width:396px;height:18px;max-height:18px;background-color:rgb(245,245,245);padding:5px;font-family:arial;font-weight:bold;border:1px solid rgb(221,221,221);line-height:1"><a href="https://drive.google.com/file/d/1M_gRZGKo5zjWPZIQ-QADO5zq7r58vTFa/view?usp=drive_web" target="_blank" style="display:inline-block;max-width:366px;overflow:hidden;text-overflow:ellipsis;white-space:nowrap;text-decoration:none;padding:1px 0;border:none"><img style="vertical-align: bottom; border: none;" src="https://ssl.gstatic.com/docs/doclist/images/icon_10_generic_list.png"> <span dir="ltr" style="color:rgb(17,85,204);text-decoration:none;vertical-align:bottom">mcscf.tar.gz</span></a><img src="//ssl.gstatic.com/ui/v1/icons/common/x_8px.png" style="opacity: 0.55; cursor: pointer; float: right; position: relative; top: -1px; display: none;"></div><br><br></div><div>Thanks in advance<br></div><div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Satyam Ravi<div>Research Scholar</div><div>Department of Chemical Sciences</div><div>Indian Institute of Science Education and Research Mohali</div><div>Punjab, India</div></div></div></div></div></div></div>