<p>Dear Molpro users,<br></p><p>I'm trying to run an MP2 calculation with Molpro. However, I seem to keep running out of harddisk space. This seems a little strange to me since I've run the same calculations with Turbomole and Gaussian03 and they run fine. The error I get is:</p>
<p> ERROR WRITING 32768 WORDS AT OFFSET 9383580. TO FILE 5 IMPLEMENTATION=sf FILE HANDLE= -2997 IERR= -1999<br> ? Error<br> ? I/O error<br> ? The problem occurs in writew<br></p><p>I'm giving my input below. Any suggestions would be greatly appreciated. </p>
<p>regards,</p><p>Adi</p><p>Input file:</p><p>************************************************************************</p><p>memory,400,M<br>geomtyp=xyz<br>geometry={<br>25 ! number of atoms<br>bla<br>C1,-0.03536,1.46799,1.86207<br>
C2,1.36108,1.46795,1.86207<br>C3,2.05927,0.25858,1.86207<br>C4,1.36102,-0.95075,1.86207<br>C5,-0.03543,-0.95072,1.86207<br>C6,-0.73361,0.25866,1.86207<br>H7,-0.57931,2.41021,1.86207<br>H8,1.90509,2.41014,1.86207<br>H9,3.14723,0.25855,1.86207<br>
H10,1.90497,-1.89297,1.86207<br>H11,-0.57943,-1.89290,1.86207<br>H12,-1.82157,0.25869,1.86207<br>C13,-2.08233,-0.24134,-1.73795<br>C14,-1.38463,0.96921,-1.73793<br>C15,0.00909,0.97750,-1.73794<br>C16,0.70430,-0.24143,-1.73792<br>
C17,0.00901,-1.46030,-1.73794<br>C18,-1.38472,-1.45192,-1.73792<br>H19,-3.16940,-0.24129,-1.73792<br>H20,-1.92741,1.91088,-1.73795<br>H21,0.56163,1.91339,-1.73791<br>H22,0.56146,-2.39624,-1.73792<br>H23,-1.92753,-2.39357,-1.73794<br>
C24,2.14047,-0.24142,-1.73793<br>N25,3.32416,-0.24136,-1.73794<br>}<br>GTHRESH,ENERGY=1.d-8<br>CARTESIAN<br>BASIS=AVDZ<br>END<br><br>hf !closed-shell scf<br>MP2<br> <br>************************************************************************************<br>
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