<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:10pt"><div>Dear molpro users,</div><div><br></div><div> We installed molpro 2006.1 on a new ibm power6 system (32cpu/node) using both lapi and mpi. The compilation went smoothly, but the execution behaved strangely. For the same test job, e.g., SCF-HF of water, sometimes the program ended successfully, but sometime the program was initiated (print out a few lines of the output) but just hanging there without proceeding. In other circumstance, the program stopped and complained the insufficient memory, which is not possible for a water SCF calculation. One thing I should mention is that our system manager decided to turn the <span class="Apple-style-span" style="white-space: pre-wrap; "><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"><span
class="Apple-style-span" style="font-size: small;">asynchronous I/O off, so when I compiled GA-4-1-1, I set NOAIO=yes. </span></font></span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;"><br></span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;">Do you guys see this kind of things before? any insights? Thank you very much.</span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;"><br></span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;">Best wishes</span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;"><br></span></div><div><span class="Apple-style-span" style="white-space: pre-wrap;">JT</span></div><div style="position:fixed"></div></div><br>
</body></html>