<html><head><base href="x-msg://192/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Looks to me like you ran out of scratch disk space. Make sure that the environment variable TMPDIR is pointing towards a large amount of disk or specify the temporary file space on the command line, e.g., molpro -d /my_scratch_file_system inputfile<div><br></div><div>-Kirk</div><div><br><div><div>On Apr 15, 2011, at 7:14 AM, gaosm09 wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="font-size: 10pt; margin-top: 10px; margin-right: 10px; margin-bottom: 10px; margin-left: 10px; font-family: verdana; "><div><font face="Verdana" size="2">dear molpro-user</font></div><div> </div><div>when i calculate single point energy by rs2c method with no level shift I met the problem below</div><div><div> A level shift of 0.30 is applied.</div><div></div><div> ITER. STATE ROOT SQ.NORM CORR.ENERGY TOTAL ENERGY ENERGY CHANGE DEN1 VAR(S) VAR(P) TIME</div><div> 1 1 1 1.05857448 -0.01757234 -201.23933053 -0.01757234 -0.39459995 0.59D-01 0.56D-01 20715.74</div><div></div><div> ERROR WRITING 32768 WORDS AT OFFSET 675524707. TO FILE 8 IMPLEMENTATION=df FILE HANDLE= 1019 IERR=-62232</div><div> ? Error</div><div> ? I/O error</div><div> ? The problem occurs in writew</div></div><div> </div><div>-----------------------------------------------------------------</div><div>is this due to lack of disk space? How can I avoid this error?</div><div> </div><div> </div><div> </div><div> </div><div><font face="Verdana" size="2"></font> </div><div align="left"><font face="Verdana" color="#c0c0c0" size="2">2011-04-15</font></div><font face="Verdana" size="2"><hr align="left" size="2" style="width: 122px; height: 2px; "><div><font face="Verdana" color="#c0c0c0" size="2"><span>gaosm09</span></font></div></font>_______________________________________________<br>Molpro-user mailing list<br><a href="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</a><br><a href="http://www.molpro.net/mailman/listinfo/molpro-user">http://www.molpro.net/mailman/listinfo/molpro-user</a><br></div></span></blockquote></div><br></div></body></html>