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<DIV>Try to compile with -pc80 option in ifc8.1. This should make 7.1 and 8.1 compatible.</DIV>
<DIV>Ilya </DIV>
<DIV> </DIV>
<DIV id=IncrediOriginalMessage><I>-------Original Message-------</I></DIV>
<DIV> </DIV>
<DIV id=receivestrings>
<DIV dir=ltr style="FONT-SIZE: 11pt" <i><B>From:</B></I> <A href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A></DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt" <i><B>Date:</B></I> 10/08/04 09:21:17</DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt" <i><B>To:</B></I> <A href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A></DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt" <i><B>Subject:</B></I> Re: [Wien] mixer erro (segmentation fault and ispin)</DIV></DIV>
<DIV> </DIV>
<DIV>Check :PLA (not just :DIS, :ENE). This is not in the old mixer, only in</DIV>
<DIV>the new and should also be small for a properly converged analysis.</DIV>
<DIV> </DIV>
<DIV>On Fri, 8 Oct 2004, Jack London wrote:</DIV>
<DIV> </DIV>
<DIV>> Dear Fred</DIV>
<DIV>></DIV>
<DIV>> Thanks</DIV>
<DIV>></DIV>
<DIV>> I just finished ifc8.1 test. If that line in scfana.f</DIV>
<DIV>> is not canceled, "x mixer" couldn't work. After</DIV>
<DIV>> canceled that line, we also got different cycle (12)</DIV>
<DIV>> and total energy (-10094.096525 Ry). (On the old</DIV>
<DIV>> machine, compiler is ifc7.1, with and without that</DIV>
<DIV>> line, we got the same cycle (15) and total energy</DIV>
<DIV>> (-10094.096446 Ry))</DIV>
<DIV>></DIV>
<DIV>></DIV>
<DIV>> --- Fred Nastos <<A href="mailto:nastos@physics.utoronto.ca">nastos@physics.utoronto.ca</A>> wrote:</DIV>
<DIV>></DIV>
<DIV>> ></DIV>
<DIV>> > Zhang, please try using Intel's Fortran compiler</DIV>
<DIV>> > version 8.1. To corroborate</DIV>
<DIV>> > what others on the mailing list are saying, I find</DIV>
<DIV>> > it to be superior to 8.0</DIV>
<DIV>> > in many respects.</DIV>
<DIV>></DIV>
<DIV>></DIV>
<DIV>></DIV>
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<DIV>> _______________________________________________</DIV>
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<DIV> </DIV>
<DIV>-----------------------------------------------</DIV>
<DIV>Laurence Marks</DIV>
<DIV>Department of Materials Science and Engineering</DIV>
<DIV>MSE Rm 2036 Cook Hall</DIV>
<DIV>2225 N Campus Drive</DIV>
<DIV>Northwestern University</DIV>
<DIV>Evanston, IL 60201, USA</DIV>
<DIV>Tel: (847) 491-3996 Fax: (847) 491-7820</DIV>
<DIV><A href="mailto:L-marks@northwestern.edu">mailto:L-marks@northwestern.edu</A></DIV>
<DIV><A href="http://www.numis.northwestern.edu">http://www.numis.northwestern.edu</A></DIV>
<DIV>-----------------------------------------------</DIV>
<DIV> </DIV>
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